4-fluoro-4-phenylbutan-1-ol

C10H13FO — CID 57250871

IUPAC4-fluoro-4-phenylbutan-1-ol
SMILESOCCCC(F)c1ccccc1
InChIInChI=1S/C10H13FO/c11-10(7-4-8-12)9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2
InChIKeyZNIBGJATLSNDLA-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.47
Rot. Bonds4

About 4-fluoro-4-phenylbutan-1-ol

4-fluoro-4-phenylbutan-1-ol (PubChem CID 57250871) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 4-fluoro-4-phenylbutan-1-ol.

Molecular Properties

Compound Name4-fluoro-4-phenylbutan-1-ol
PubChem CID57250871
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name4-fluoro-4-phenylbutan-1-ol
SMILESOCCCC(F)c1ccccc1
InChIInChI=1S/C10H13FO/c11-10(7-4-8-12)9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2
InChIKeyZNIBGJATLSNDLA-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-6-phenylhexanoic acid
CID 70054294
CID 178036170
CID 178036170
5-hydroxy-2-phenylpentanoic acid
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1-phenyldecane-1,10-diol
CID 15255187
(1S,2S)-2-(hydroxymethyl)-1-phenylpentane-1,5-diol
CID 10774811
[(1S)-1-fluoropent-4-enyl]benzene
CID 69121356
(4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol
CID 97051530
6-(hydroxyamino)-4-phenylhexan-1-ol
CID 134423363
2-[(5-fluoro-5-phenylpentyl)amino]-3-methylbutanoic acid
CID 178087017
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentane-1,5-diol
CID 15449406
(E)-4,6-diphenylhex-5-en-1-ol
CID 162409276
3-(3,3-diphenylpropylarsanyl)propan-1-ol
CID 173070567

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-phenylbutan-1-ol?
The IUPAC name of 4-fluoro-4-phenylbutan-1-ol (CID 57250871) is 4-fluoro-4-phenylbutan-1-ol.
What is the SMILES notation for 4-fluoro-4-phenylbutan-1-ol?
The canonical SMILES for 4-fluoro-4-phenylbutan-1-ol is OCCCC(F)c1ccccc1.
What is the InChIKey of 4-fluoro-4-phenylbutan-1-ol?
The InChIKey is ZNIBGJATLSNDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c11-10(7-4-8-12)9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2.
What are the key properties of 4-fluoro-4-phenylbutan-1-ol?
4-fluoro-4-phenylbutan-1-ol has a molecular weight of 168.21 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-phenylbutan-1-ol is sourced from PubChem (CID 57250871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).