(2S)-2-(3-fluorophenyl)pentan-2-ol

C11H15FO — CID 93299056

IUPAC(2S)-2-(3-fluorophenyl)pentan-2-ol
SMILESCCC[C@](C)(O)c1cccc(F)c1
InChIInChI=1S/C11H15FO/c1-3-7-11(2,13)9-5-4-6-10(12)8-9/h4-6,8,13H,3,7H2,1-2H3/t11-/m0/s1
InChIKeyJOYMFYMMTZRQEM-NSHDSACASA-N
MW182.24 g/mol
LogP2.83
Rot. Bonds3

About (2S)-2-(3-fluorophenyl)pentan-2-ol

(2S)-2-(3-fluorophenyl)pentan-2-ol (PubChem CID 93299056) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is (2S)-2-(3-fluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name(2S)-2-(3-fluorophenyl)pentan-2-ol
PubChem CID93299056
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name(2S)-2-(3-fluorophenyl)pentan-2-ol
SMILESCCC[C@](C)(O)c1cccc(F)c1
InChIInChI=1S/C11H15FO/c1-3-7-11(2,13)9-5-4-6-10(12)8-9/h4-6,8,13H,3,7H2,1-2H3/t11-/m0/s1
InChIKeyJOYMFYMMTZRQEM-NSHDSACASA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-4-methylheptan-2-ol
CID 65145180
1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
(2S)-2-(3-methylsulfanylphenyl)pentan-2-ol
CID 97294313
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
2-(3-fluorophenyl)pent-4-en-2-ol
CID 22086786
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 62773399
(2S)-2-(3-ethoxyphenyl)pentan-2-ol
CID 97048517
2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol
CID 65479485
1-(4-chlorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 60798764

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluorophenyl)pentan-2-ol?
The IUPAC name of (2S)-2-(3-fluorophenyl)pentan-2-ol (CID 93299056) is (2S)-2-(3-fluorophenyl)pentan-2-ol.
What is the SMILES notation for (2S)-2-(3-fluorophenyl)pentan-2-ol?
The canonical SMILES for (2S)-2-(3-fluorophenyl)pentan-2-ol is CCC[C@](C)(O)c1cccc(F)c1.
What is the InChIKey of (2S)-2-(3-fluorophenyl)pentan-2-ol?
The InChIKey is JOYMFYMMTZRQEM-NSHDSACASA-N. The full InChI is InChI=1S/C11H15FO/c1-3-7-11(2,13)9-5-4-6-10(12)8-9/h4-6,8,13H,3,7H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-(3-fluorophenyl)pentan-2-ol?
(2S)-2-(3-fluorophenyl)pentan-2-ol has a molecular weight of 182.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluorophenyl)pentan-2-ol is sourced from PubChem (CID 93299056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).