1-fluoro-1-(2-fluorophenyl)propan-2-ol

C9H10F2O — CID 105435040

IUPAC1-fluoro-1-(2-fluorophenyl)propan-2-ol
SMILESCC(O)C(F)c1ccccc1F
InChIInChI=1S/C9H10F2O/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-6,9,12H,1H3
InChIKeyXDFZSMWFKQWIIY-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.22
Rot. Bonds2

About 1-fluoro-1-(2-fluorophenyl)propan-2-ol

1-fluoro-1-(2-fluorophenyl)propan-2-ol (PubChem CID 105435040) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 1-fluoro-1-(2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-1-(2-fluorophenyl)propan-2-ol
PubChem CID105435040
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name1-fluoro-1-(2-fluorophenyl)propan-2-ol
SMILESCC(O)C(F)c1ccccc1F
InChIInChI=1S/C9H10F2O/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-6,9,12H,1H3
InChIKeyXDFZSMWFKQWIIY-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
1-fluoro-1-(2-methoxyphenyl)propan-2-ol
CID 105441067
bis(2-fluorophenyl)methanol
CID 18424663
1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
CID 126565772
(2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol
CID 134968528
(1R,2S)-1-amino-1-(2-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171160711
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol
CID 55293130

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(2-fluorophenyl)propan-2-ol?
The IUPAC name of 1-fluoro-1-(2-fluorophenyl)propan-2-ol (CID 105435040) is 1-fluoro-1-(2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-fluoro-1-(2-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-fluoro-1-(2-fluorophenyl)propan-2-ol is CC(O)C(F)c1ccccc1F.
What is the InChIKey of 1-fluoro-1-(2-fluorophenyl)propan-2-ol?
The InChIKey is XDFZSMWFKQWIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-6,9,12H,1H3.
What are the key properties of 1-fluoro-1-(2-fluorophenyl)propan-2-ol?
1-fluoro-1-(2-fluorophenyl)propan-2-ol has a molecular weight of 172.17 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 105435040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).