2,2-difluoro-1-phenylbutan-1-ol

C10H12F2O — CID 15783630

IUPAC2,2-difluoro-1-phenylbutan-1-ol
SMILESCCC(F)(F)C(O)c1ccccc1
InChIInChI=1S/C10H12F2O/c1-2-10(11,12)9(13)8-6-4-3-5-7-8/h3-7,9,13H,2H2,1H3
InChIKeyPVJWYDFWWUHLHU-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.77
Rot. Bonds3

About 2,2-difluoro-1-phenylbutan-1-ol

2,2-difluoro-1-phenylbutan-1-ol (PubChem CID 15783630) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 2,2-difluoro-1-phenylbutan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-1-phenylbutan-1-ol
PubChem CID15783630
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name2,2-difluoro-1-phenylbutan-1-ol
SMILESCCC(F)(F)C(O)c1ccccc1
InChIInChI=1S/C10H12F2O/c1-2-10(11,12)9(13)8-6-4-3-5-7-8/h3-7,9,13H,2H2,1H3
InChIKeyPVJWYDFWWUHLHU-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
2,2-difluoro-1-hydroxy-4-methyl-1-phenylhexan-3-one
CID 130457174
ethyl (2S,3S)-2-bromo-2-fluoro-3-hydroxy-3-phenylpropanoate
CID 101158378
6,6-diphenylhexan-3-ol
CID 57258566
methyl 2-ethyl-2-[(R)-hydroxy(phenyl)methyl]butanoate
CID 10561798
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol
CID 63426075
(E)-2,2-difluoro-1-phenyldec-3-en-1-ol
CID 11821614
(Z)-2,2-difluoro-1-phenyldec-3-en-1-ol
CID 102600669
3,3-dimethyl-4-phenylbutane-1,2,4-triol
CID 132576079
3,3,4,4-tetrafluoro-1-phenylbutan-1-ol
CID 164681881

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-phenylbutan-1-ol?
The IUPAC name of 2,2-difluoro-1-phenylbutan-1-ol (CID 15783630) is 2,2-difluoro-1-phenylbutan-1-ol.
What is the SMILES notation for 2,2-difluoro-1-phenylbutan-1-ol?
The canonical SMILES for 2,2-difluoro-1-phenylbutan-1-ol is CCC(F)(F)C(O)c1ccccc1.
What is the InChIKey of 2,2-difluoro-1-phenylbutan-1-ol?
The InChIKey is PVJWYDFWWUHLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-2-10(11,12)9(13)8-6-4-3-5-7-8/h3-7,9,13H,2H2,1H3.
What are the key properties of 2,2-difluoro-1-phenylbutan-1-ol?
2,2-difluoro-1-phenylbutan-1-ol has a molecular weight of 186.20 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-phenylbutan-1-ol is sourced from PubChem (CID 15783630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).