1-[3-(difluoromethyl)phenyl]propan-2-ol

C10H12F2O — CID 117280458

IUPAC1-[3-(difluoromethyl)phenyl]propan-2-ol
SMILESCC(O)Cc1cccc(C(F)F)c1
InChIInChI=1S/C10H12F2O/c1-7(13)5-8-3-2-4-9(6-8)10(11)12/h2-4,6-7,10,13H,5H2,1H3
InChIKeyRXFPOEKDFMXUIW-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.55
Rot. Bonds3

About 1-[3-(difluoromethyl)phenyl]propan-2-ol

1-[3-(difluoromethyl)phenyl]propan-2-ol (PubChem CID 117280458) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]propan-2-ol
PubChem CID117280458
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name1-[3-(difluoromethyl)phenyl]propan-2-ol
SMILESCC(O)Cc1cccc(C(F)F)c1
InChIInChI=1S/C10H12F2O/c1-7(13)5-8-3-2-4-9(6-8)10(11)12/h2-4,6-7,10,13H,5H2,1H3
InChIKeyRXFPOEKDFMXUIW-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol
CID 116542777
4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
1-(3-ethylphenyl)propan-2-ol
CID 85092525
1-[3-(difluoromethyl)phenyl]-2-phenylethanol
CID 115527640
1-(2,2-difluoroethyl)-3-propan-2-ylbenzene
CID 177118676
2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
CID 115527783
1-(chloromethyl)-3-(difluoromethyl)benzene
CID 83854596
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane
CID 142914280
CID 69064198
CID 69064198
1-[3-(2-fluoropropyl)phenyl]-2-(methylamino)ethanol
CID 117301973

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]propan-2-ol (CID 117280458) is 1-[3-(difluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]propan-2-ol is CC(O)Cc1cccc(C(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]propan-2-ol?
The InChIKey is RXFPOEKDFMXUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-7(13)5-8-3-2-4-9(6-8)10(11)12/h2-4,6-7,10,13H,5H2,1H3.
What are the key properties of 1-[3-(difluoromethyl)phenyl]propan-2-ol?
1-[3-(difluoromethyl)phenyl]propan-2-ol has a molecular weight of 186.20 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117280458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).