1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene

C11H14ClF — CID 134402395

IUPAC1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H14ClF/c1-4-11(2,3)8-5-6-9(12)10(13)7-8/h5-7H,4H2,1-3H3
InChIKeyMQKUWFHODJLICG-UHFFFAOYSA-N
MW200.68 g/mol
LogP4.17
Rot. Bonds2

About 1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene

1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene (PubChem CID 134402395) has the molecular formula C11H14ClF and a molecular weight of 200.68 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene
PubChem CID134402395
Molecular FormulaC11H14ClF
Molecular Weight200.68 g/mol
Exact Mass200.08
IUPAC Name1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H14ClF/c1-4-11(2,3)8-5-6-9(12)10(13)7-8/h5-7H,4H2,1-3H3
InChIKeyMQKUWFHODJLICG-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.68
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-fluoro-4-(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-(4-chloro-3-fluorophenyl)pentan-3-ol
CID 91656809
1-ethyl-2-fluoro-4-(2-methylbutan-2-yl)benzene
CID 170009086
4-[3-(4-chloro-3-fluorophenyl)pentan-3-yloxy]aniline
CID 118456044
3-amino-2-(4-chloro-3-fluorophenyl)-2-methylpropan-1-ol
CID 83821833
2-chloro-4-(2-methylbutan-2-yl)benzonitrile
CID 146174656
(2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid
CID 130713709
1-chloro-2-fluoro-4-methylbenzene;propane
CID 154658085
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
1,3-difluoro-2-methoxy-5-(2-methylbutan-2-yl)benzene
CID 146480194
(5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 66258008
4-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,2-dichlorobenzene
CID 66259978
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene?
The IUPAC name of 1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene (CID 134402395) is 1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene is CCC(C)(C)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene?
The InChIKey is MQKUWFHODJLICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF/c1-4-11(2,3)8-5-6-9(12)10(13)7-8/h5-7H,4H2,1-3H3.
What are the key properties of 1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene?
1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene has a molecular weight of 200.68 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 134402395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).