2-[3-(fluoromethyl)phenyl]propan-2-ol

C10H13FO — CID 12844398

IUPAC2-[3-(fluoromethyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(CF)c1
InChIInChI=1S/C10H13FO/c1-10(2,12)9-5-3-4-8(6-9)7-11/h3-6,12H,7H2,1-2H3
InChIKeyOLYJIEJLAPVZNP-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.38
Rot. Bonds2

About 2-[3-(fluoromethyl)phenyl]propan-2-ol

2-[3-(fluoromethyl)phenyl]propan-2-ol (PubChem CID 12844398) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(fluoromethyl)phenyl]propan-2-ol
PubChem CID12844398
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name2-[3-(fluoromethyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(CF)c1
InChIInChI=1S/C10H13FO/c1-10(2,12)9-5-3-4-8(6-9)7-11/h3-6,12H,7H2,1-2H3
InChIKeyOLYJIEJLAPVZNP-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol
CID 117310696
1,3-bis(fluoromethyl)benzene
CID 23234185
2-[3-[(2R)-2,4-dimethyl-3-propan-2-ylpentyl]phenyl]propan-2-ol
CID 59038714
2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol
CID 23561492
1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23570047
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol
CID 65146705
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one
CID 84665532
1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol
CID 20728974
2-amino-2-(3-ethylphenyl)propan-1-ol
CID 55294945

Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 2-[3-(fluoromethyl)phenyl]propan-2-ol (CID 12844398) is 2-[3-(fluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-(fluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[3-(fluoromethyl)phenyl]propan-2-ol is CC(C)(O)c1cccc(CF)c1.
What is the InChIKey of 2-[3-(fluoromethyl)phenyl]propan-2-ol?
The InChIKey is OLYJIEJLAPVZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-10(2,12)9-5-3-4-8(6-9)7-11/h3-6,12H,7H2,1-2H3.
What are the key properties of 2-[3-(fluoromethyl)phenyl]propan-2-ol?
2-[3-(fluoromethyl)phenyl]propan-2-ol has a molecular weight of 168.21 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 12844398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).