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

C12H16F2O — CID 117305573

IUPAC2-[2-(2,2-difluoropropyl)phenyl]propan-1-ol
SMILESCC(CO)c1ccccc1CC(C)(F)F
InChIInChI=1S/C12H16F2O/c1-9(8-15)11-6-4-3-5-10(11)7-12(2,13)14/h3-6,9,15H,7-8H2,1-2H3
InChIKeyCIJRHWBZIRWTPJ-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.98
Rot. Bonds4

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

2-[2-(2,2-difluoropropyl)phenyl]propan-1-ol (PubChem CID 117305573) has the molecular formula C12H16F2O and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[2-(2,2-difluoropropyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(2,2-difluoropropyl)phenyl]propan-1-ol
PubChem CID117305573
Molecular FormulaC12H16F2O
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-[2-(2,2-difluoropropyl)phenyl]propan-1-ol
SMILESCC(CO)c1ccccc1CC(C)(F)F
InChIInChI=1S/C12H16F2O/c1-9(8-15)11-6-4-3-5-10(11)7-12(2,13)14/h3-6,9,15H,7-8H2,1-2H3
InChIKeyCIJRHWBZIRWTPJ-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(fluoromethyl)phenyl]propan-1-ol
CID 117276627
2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
CID 117289377
2-[2-(diethylaminomethyl)phenyl]propan-1-ol
CID 117317101
2-ethyl-6-(1-hydroxypropan-2-yl)phenol
CID 117278483
2-[2-(2,2-difluoropropyl)phenyl]acetic acid
CID 84680236
1-bromo-2-(2,2-difluoropropyl)benzene
CID 84698254
1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane
CID 142343598
2-[2-(difluoromethylsulfanyl)phenyl]propan-1-ol
CID 117311095
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
3-[2-(2,2-difluoropropyl)phenyl]-3-methylbutanoic acid
CID 117394032
[3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol
CID 118269805
2-amino-2-[2-(2-fluoropropan-2-yl)phenyl]ethanol
CID 84667706

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoropropyl)phenyl]propan-1-ol?
The IUPAC name of 2-[2-(2,2-difluoropropyl)phenyl]propan-1-ol (CID 117305573) is 2-[2-(2,2-difluoropropyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-[2-(2,2-difluoropropyl)phenyl]propan-1-ol?
The canonical SMILES for 2-[2-(2,2-difluoropropyl)phenyl]propan-1-ol is CC(CO)c1ccccc1CC(C)(F)F.
What is the InChIKey of 2-[2-(2,2-difluoropropyl)phenyl]propan-1-ol?
The InChIKey is CIJRHWBZIRWTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-9(8-15)11-6-4-3-5-10(11)7-12(2,13)14/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of 2-[2-(2,2-difluoropropyl)phenyl]propan-1-ol?
2-[2-(2,2-difluoropropyl)phenyl]propan-1-ol has a molecular weight of 214.26 g/mol, XLogP of 2.98, 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-difluoropropyl)phenyl]propan-1-ol is sourced from PubChem (CID 117305573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).