(3-fluoro-2-methylbutan-2-yl)benzene

C11H15F — CID 69013653

IUPAC(3-fluoro-2-methylbutan-2-yl)benzene
SMILESCC(F)C(C)(C)c1ccccc1
InChIInChI=1S/C11H15F/c1-9(12)11(2,3)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyPQDOLIYDKMVTCQ-UHFFFAOYSA-N
MW166.24 g/mol
LogP3.32
Rot. Bonds2

About (3-fluoro-2-methylbutan-2-yl)benzene

(3-fluoro-2-methylbutan-2-yl)benzene (PubChem CID 69013653) has the molecular formula C11H15F and a molecular weight of 166.24 g/mol. Its IUPAC name is (3-fluoro-2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name(3-fluoro-2-methylbutan-2-yl)benzene
PubChem CID69013653
Molecular FormulaC11H15F
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name(3-fluoro-2-methylbutan-2-yl)benzene
SMILESCC(F)C(C)(C)c1ccccc1
InChIInChI=1S/C11H15F/c1-9(12)11(2,3)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyPQDOLIYDKMVTCQ-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3-fluoro-2-methylbutan-2-yl)benzene 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

3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
trimethyl-(3-methyl-3-phenylbutan-2-yl)silane
CID 91220136
2,4-dimethyl-2-phenyl(313C)pentan-3-ol
CID 12036606
(2-methyl-3,4-diphenylpentan-2-yl)benzene
CID 173387028
1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol
CID 66466095
(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene
CID 13047702
2,3,6-trimethylheptan-2-ylbenzene
CID 20588991
2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane
CID 142581096
N,2,4-trimethyl-2-phenylpentan-3-amine
CID 21032330
1,1-difluoroethylbenzene
CID 10942535
(4-iodo-4,4-dimethoxy-2,3-dimethylbutan-2-yl)benzene
CID 174222430
1-(2-fluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 55180552

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-methylbutan-2-yl)benzene?
The IUPAC name of (3-fluoro-2-methylbutan-2-yl)benzene (CID 69013653) is (3-fluoro-2-methylbutan-2-yl)benzene.
What is the SMILES notation for (3-fluoro-2-methylbutan-2-yl)benzene?
The canonical SMILES for (3-fluoro-2-methylbutan-2-yl)benzene is CC(F)C(C)(C)c1ccccc1.
What is the InChIKey of (3-fluoro-2-methylbutan-2-yl)benzene?
The InChIKey is PQDOLIYDKMVTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F/c1-9(12)11(2,3)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of (3-fluoro-2-methylbutan-2-yl)benzene?
(3-fluoro-2-methylbutan-2-yl)benzene has a molecular weight of 166.24 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-methylbutan-2-yl)benzene is sourced from PubChem (CID 69013653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).