1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol

C11H14F2O — CID 117289321

IUPAC1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccccc1C(C)(F)F
InChIInChI=1S/C11H14F2O/c1-8(14)7-9-5-3-4-6-10(9)11(2,12)13/h3-6,8,14H,7H2,1-2H3
InChIKeyXPWDPIDBKPSVDV-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.72
Rot. Bonds3

About 1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol

1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol (PubChem CID 117289321) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol
PubChem CID117289321
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccccc1C(C)(F)F
InChIInChI=1S/C11H14F2O/c1-8(14)7-9-5-3-4-6-10(9)11(2,12)13/h3-6,8,14H,7H2,1-2H3
InChIKeyXPWDPIDBKPSVDV-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol (CID 117289321) is 1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol is CC(O)Cc1ccccc1C(C)(F)F.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol?
The InChIKey is XPWDPIDBKPSVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-8(14)7-9-5-3-4-6-10(9)11(2,12)13/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol?
1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol has a molecular weight of 200.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117289321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).