1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(6-fluoro-3,4-dihydro-2H-chromen-2-yl)methanol

2.1.2 InChI

InChI=1S/C10H11FO2/c11-8-2-4-10-7(5-8)1-3-9(6-12)13-10/h2,4-5,9,12H,1,3,6H2

2.1.3 InChI Key

HAIDNNYCHKHYHX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC2=C(C=CC(=C2)F)OC1CO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 99199-62-9

2. Rac 6-fluoro-3,4-dihydro-2h-1-benzopyran-2-methanol

3. (6-fluorochroman-2-yl)methanol

4. (6-fluoro-3,4-dihydro-2h-chromen-2-yl)methanol

5. Starbld0001380

6. Schembl935303

7. Dtxsid80472645

8. Akos037505729

9. Da-00039

10. Ft-0668632

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁FO₂
Molecular Weight	182.19 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	182.07430775 g/mol
Monoisotopic Mass	182.07430775 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	174
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 99199-62-9