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

C11H14F2O — CID 117289377

IUPAC2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
SMILESCC(CO)c1ccccc1CC(F)F
InChIInChI=1S/C11H14F2O/c1-8(7-14)10-5-3-2-4-9(10)6-11(12)13/h2-5,8,11,14H,6-7H2,1H3
InChIKeyFJIMQVBCGZILCP-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.59
Rot. Bonds4

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

2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol (PubChem CID 117289377) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
PubChem CID117289377
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
SMILESCC(CO)c1ccccc1CC(F)F
InChIInChI=1S/C11H14F2O/c1-8(7-14)10-5-3-2-4-9(10)6-11(12)13/h2-5,8,11,14H,6-7H2,1H3
InChIKeyFJIMQVBCGZILCP-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(fluoromethyl)phenyl]propan-1-ol
CID 117276627
1-[2-(2,2-difluoroethyl)phenyl]ethanamine
CID 84660069
2-[2-(2,2-difluoropropyl)phenyl]propan-1-ol
CID 117305573
2-[2-(diethylaminomethyl)phenyl]propan-1-ol
CID 117317101
2-[2-(difluoromethylsulfanyl)phenyl]propan-1-ol
CID 117311095
2-(1-fluoropropan-2-yl)phenol
CID 19048051
2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol
CID 117289376
2-ethyl-6-(1-hydroxypropan-2-yl)phenol
CID 117278483
2-[2-(1-methoxyethyl)phenyl]propan-1-ol
CID 117113507
1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine
CID 84723521
(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol
CID 137495606
3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
CID 117289348

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol?
The IUPAC name of 2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol (CID 117289377) is 2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol is CC(CO)c1ccccc1CC(F)F.
What is the InChIKey of 2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol?
The InChIKey is FJIMQVBCGZILCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-8(7-14)10-5-3-2-4-9(10)6-11(12)13/h2-5,8,11,14H,6-7H2,1H3.
What are the key properties of 2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol?
2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol has a molecular weight of 200.23 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117289377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).