3-fluoro-4-phenylbutan-2-ol

C10H13FO — CID 105433789

IUPAC3-fluoro-4-phenylbutan-2-ol
SMILESCC(O)C(F)Cc1ccccc1
InChIInChI=1S/C10H13FO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,8,10,12H,7H2,1H3
InChIKeyVARBNCLPGUQURV-UHFFFAOYSA-N
MW168.21 g/mol
LogP1.95
Rot. Bonds3

About 3-fluoro-4-phenylbutan-2-ol

3-fluoro-4-phenylbutan-2-ol (PubChem CID 105433789) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 3-fluoro-4-phenylbutan-2-ol.

Molecular Properties

Compound Name3-fluoro-4-phenylbutan-2-ol
PubChem CID105433789
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name3-fluoro-4-phenylbutan-2-ol
SMILESCC(O)C(F)Cc1ccccc1
InChIInChI=1S/C10H13FO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,8,10,12H,7H2,1H3
InChIKeyVARBNCLPGUQURV-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
(1R)-1-fluoro-2-phenylethanol
CID 163366132
3-methyl-1-phenylpentane-2,4-diol
CID 59748553
(2R,3R)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124512374
(2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124833939
2-fluoro-3-methyl-4-phenylbutanoic acid
CID 81357532
sodium;hydride;1-phenylpropan-2-ol
CID 175039142
1,1-difluoro-3-phenylpropan-2-ol
CID 15085378
(2R,3S)-3,4-diphenylbutan-2-ol
CID 166439857
(3-hydroxy-1-phenylbutan-2-yl)azanide;praseodymium;rubidium(1+)
CID 59894892
oxalic acid;1-phenylpropan-2-ol
CID 162336088
3,4-dibenzylheptane-2,5-diol
CID 86084391

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-phenylbutan-2-ol?
The IUPAC name of 3-fluoro-4-phenylbutan-2-ol (CID 105433789) is 3-fluoro-4-phenylbutan-2-ol.
What is the SMILES notation for 3-fluoro-4-phenylbutan-2-ol?
The canonical SMILES for 3-fluoro-4-phenylbutan-2-ol is CC(O)C(F)Cc1ccccc1.
What is the InChIKey of 3-fluoro-4-phenylbutan-2-ol?
The InChIKey is VARBNCLPGUQURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,8,10,12H,7H2,1H3.
What are the key properties of 3-fluoro-4-phenylbutan-2-ol?
3-fluoro-4-phenylbutan-2-ol has a molecular weight of 168.21 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-phenylbutan-2-ol is sourced from PubChem (CID 105433789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).