3-(2,4-difluorophenyl)-3-methylbutan-1-ol

C11H14F2O — CID 79838092

IUPAC3-(2,4-difluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)(CCO)c1ccc(F)cc1F
InChIInChI=1S/C11H14F2O/c1-11(2,5-6-14)9-4-3-8(12)7-10(9)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyLFGLCWSOWHPTMV-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.62
Rot. Bonds3

About 3-(2,4-difluorophenyl)-3-methylbutan-1-ol

3-(2,4-difluorophenyl)-3-methylbutan-1-ol (PubChem CID 79838092) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-3-methylbutan-1-ol
PubChem CID79838092
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3-(2,4-difluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)(CCO)c1ccc(F)cc1F
InChIInChI=1S/C11H14F2O/c1-11(2,5-6-14)9-4-3-8(12)7-10(9)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyLFGLCWSOWHPTMV-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,4-difluorophenyl)-3-methylbutan-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

2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol
CID 79838193
N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
CID 115226390
2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride
CID 116866432
1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136355
3-amino-3-(2-chloro-4-fluorophenyl)butan-1-ol
CID 65239967
1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride
CID 54593269
2-(2,4-difluorophenyl)-2-methylpentanedioic acid
CID 117050132
4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol
CID 66001269
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol
CID 62802529

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 3-(2,4-difluorophenyl)-3-methylbutan-1-ol (CID 79838092) is 3-(2,4-difluorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(2,4-difluorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 3-(2,4-difluorophenyl)-3-methylbutan-1-ol is CC(C)(CCO)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-3-methylbutan-1-ol?
The InChIKey is LFGLCWSOWHPTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-11(2,5-6-14)9-4-3-8(12)7-10(9)13/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 3-(2,4-difluorophenyl)-3-methylbutan-1-ol?
3-(2,4-difluorophenyl)-3-methylbutan-1-ol has a molecular weight of 200.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 79838092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).