2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol

C12H14F2O — CID 140915621

IUPAC2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol
SMILESCC(C)C1c2ccccc2C(O)C1(F)F
InChIInChI=1S/C12H14F2O/c1-7(2)10-8-5-3-4-6-9(8)11(15)12(10,13)14/h3-7,10-11,15H,1-2H3
InChIKeyQCNMEUJWIAILKG-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.11
Rot. Bonds1

About 2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol

2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol (PubChem CID 140915621) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol
PubChem CID140915621
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol
SMILESCC(C)C1c2ccccc2C(O)C1(F)F
InChIInChI=1S/C12H14F2O/c1-7(2)10-8-5-3-4-6-9(8)11(15)12(10,13)14/h3-7,10-11,15H,1-2H3
InChIKeyQCNMEUJWIAILKG-UHFFFAOYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol 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

(1S,3S)-2,2-difluoro-3-(2-methylpropyl)-1H-indene-1,3-diol
CID 164827498
(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol
CID 125481717
(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
CID 12927411
(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
CID 91647488
2,2-difluoro-1-propan-2-yl-1H-acenaphthylene
CID 166533770
(1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 134937158
2-(3,3-difluorocyclobutyl)phenol
CID 115016625
(1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol
CID 24778112
2,2-dimethyl-1,3-dihydroinden-1-ol;ethane
CID 162431044
(2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 130124286
3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415603
(9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 59070564

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol?
The IUPAC name of 2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol (CID 140915621) is 2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol.
What is the SMILES notation for 2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol?
The canonical SMILES for 2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol is CC(C)C1c2ccccc2C(O)C1(F)F.
What is the InChIKey of 2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol?
The InChIKey is QCNMEUJWIAILKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-7(2)10-8-5-3-4-6-9(8)11(15)12(10,13)14/h3-7,10-11,15H,1-2H3.
What are the key properties of 2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol?
2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol has a molecular weight of 212.24 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol is sourced from PubChem (CID 140915621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).