1,1-difluoro-1-phenylpropan-2-ol

C9H10F2O — CID 23235127

IUPAC1,1-difluoro-1-phenylpropan-2-ol
SMILESCC(O)C(F)(F)c1ccccc1
InChIInChI=1S/C9H10F2O/c1-7(12)9(10,11)8-5-3-2-4-6-8/h2-7,12H,1H3
InChIKeyJJGKMCQYDAQDEI-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.16
Rot. Bonds2

About 1,1-difluoro-1-phenylpropan-2-ol

1,1-difluoro-1-phenylpropan-2-ol (PubChem CID 23235127) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 1,1-difluoro-1-phenylpropan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-1-phenylpropan-2-ol
PubChem CID23235127
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name1,1-difluoro-1-phenylpropan-2-ol
SMILESCC(O)C(F)(F)c1ccccc1
InChIInChI=1S/C9H10F2O/c1-7(12)9(10,11)8-5-3-2-4-6-8/h2-7,12H,1H3
InChIKeyJJGKMCQYDAQDEI-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-1,1-difluoro-1-phenylbutan-2-ol
CID 84669970
1-chloro-1,1-diphenylpropan-2-ol
CID 174806376
1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol
CID 66466095
(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid
CID 7128426
5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol
CID 116790326
ethane;bis(trifluoromethylbenzene)
CID 142912000
(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid;hydrochloride
CID 178200685
1,1-difluoroethylbenzene
CID 10942535
2,4-dimethyl-2-phenyl(313C)pentan-3-ol
CID 12036606
1-(methylamino)-1,1-diphenylpropan-2-ol
CID 139632389
3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol
CID 10708008
3-amino-2-fluoro-2-phenylbutanoic acid
CID 67114338

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-phenylpropan-2-ol?
The IUPAC name of 1,1-difluoro-1-phenylpropan-2-ol (CID 23235127) is 1,1-difluoro-1-phenylpropan-2-ol.
What is the SMILES notation for 1,1-difluoro-1-phenylpropan-2-ol?
The canonical SMILES for 1,1-difluoro-1-phenylpropan-2-ol is CC(O)C(F)(F)c1ccccc1.
What is the InChIKey of 1,1-difluoro-1-phenylpropan-2-ol?
The InChIKey is JJGKMCQYDAQDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-7(12)9(10,11)8-5-3-2-4-6-8/h2-7,12H,1H3.
What are the key properties of 1,1-difluoro-1-phenylpropan-2-ol?
1,1-difluoro-1-phenylpropan-2-ol has a molecular weight of 172.17 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-phenylpropan-2-ol is sourced from PubChem (CID 23235127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).