1,1-difluoro-3-phenylpropan-2-ol

C9H10F2O — CID 15085378

IUPAC1,1-difluoro-3-phenylpropan-2-ol
SMILESOC(Cc1ccccc1)C(F)F
InChIInChI=1S/C9H10F2O/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6H2
InChIKeyBGEYWCYUHPALBR-UHFFFAOYSA-N
MW172.17 g/mol
LogP1.86
Rot. Bonds3

About 1,1-difluoro-3-phenylpropan-2-ol

1,1-difluoro-3-phenylpropan-2-ol (PubChem CID 15085378) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 1,1-difluoro-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-phenylpropan-2-ol
PubChem CID15085378
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name1,1-difluoro-3-phenylpropan-2-ol
SMILESOC(Cc1ccccc1)C(F)F
InChIInChI=1S/C9H10F2O/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6H2
InChIKeyBGEYWCYUHPALBR-UHFFFAOYSA-N
XLogP1.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-fluoro-2-phenylethanol
CID 163366132
3-(4-ethylphenyl)-1,1-difluoropropan-2-ol
CID 112575617
(1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol
CID 171269901
(2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol
CID 97184226
(1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride
CID 171264227
3-methyl-1-phenylpentane-2,4-diol
CID 59748553
3-fluoro-4-phenylbutan-2-ol
CID 105433789
(3S,4R)-5-phenylpentane-1,3,4-triol
CID 118708003
(2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid
CID 123932531
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol
CID 171262338
(2R)-2-fluoro-3-phenylpropan-1-amine
CID 69274217
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol
CID 171261356

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-phenylpropan-2-ol?
The IUPAC name of 1,1-difluoro-3-phenylpropan-2-ol (CID 15085378) is 1,1-difluoro-3-phenylpropan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-phenylpropan-2-ol?
The canonical SMILES for 1,1-difluoro-3-phenylpropan-2-ol is OC(Cc1ccccc1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-phenylpropan-2-ol?
The InChIKey is BGEYWCYUHPALBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6H2.
What are the key properties of 1,1-difluoro-3-phenylpropan-2-ol?
1,1-difluoro-3-phenylpropan-2-ol has a molecular weight of 172.17 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-phenylpropan-2-ol is sourced from PubChem (CID 15085378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).