2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol

C12H16F2O — CID 105425775

IUPAC2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1cccc(C(F)(F)CO)c1
InChIInChI=1S/C12H16F2O/c1-9(2)6-10-4-3-5-11(7-10)12(13,14)8-15/h3-5,7,9,15H,6,8H2,1-2H3
InChIKeySKQXRWIIMHGJCL-UHFFFAOYSA-N
MW214.25 g/mol
LogP2.97
Rot. Bonds4

About 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol

2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol (PubChem CID 105425775) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol
PubChem CID105425775
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1cccc(C(F)(F)CO)c1
InChIInChI=1S/C12H16F2O/c1-9(2)6-10-4-3-5-11(7-10)12(13,14)8-15/h3-5,7,9,15H,6,8H2,1-2H3
InChIKeySKQXRWIIMHGJCL-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid
CID 116545513
2-[3-(2-methylpropyl)phenyl]butan-2-ol
CID 116542302
1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542792
1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542275
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-ol
CID 116542343
3-(3-tert-butylphenyl)-2-methylpropan-1-ol
CID 53466403
1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542789
2,2-difluoro-2-(3-propan-2-ylsulfonylphenyl)ethanol
CID 105425792
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol (CID 105425775) is 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol is CC(C)Cc1cccc(C(F)(F)CO)c1.
What is the InChIKey of 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol?
The InChIKey is SKQXRWIIMHGJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-9(2)6-10-4-3-5-11(7-10)12(13,14)8-15/h3-5,7,9,15H,6,8H2,1-2H3.
What are the key properties of 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol?
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol has a molecular weight of 214.25 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 105425775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).