1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene

C10H10BrF3 — CID 134968828

IUPAC1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
SMILESCC(Cc1ccccc1Br)C(F)(F)F
InChIInChI=1S/C10H10BrF3/c1-7(10(12,13)14)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3
InChIKeyLFOSGUIUBQXGSI-UHFFFAOYSA-N
MW267.09 g/mol
LogP4.19
Rot. Bonds2

About 1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene

1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene (PubChem CID 134968828) has the molecular formula C10H10BrF3 and a molecular weight of 267.09 g/mol. Its IUPAC name is 1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
PubChem CID134968828
Molecular FormulaC10H10BrF3
Molecular Weight267.09 g/mol
Exact Mass265.99
IUPAC Name1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
SMILESCC(Cc1ccccc1Br)C(F)(F)F
InChIInChI=1S/C10H10BrF3/c1-7(10(12,13)14)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3
InChIKeyLFOSGUIUBQXGSI-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)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

(2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine
CID 97110840
2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol
CID 115051968
1-(2-bromophenyl)-3,3-difluorobutan-2-amine
CID 84711182
3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol
CID 112575389
1-bromo-2-(2,2-difluoropropyl)benzene
CID 84698254
1-bromo-2-(2,2-dimethoxyethyl)benzene
CID 11032130
2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol
CID 66060049
[1-(2-bromophenyl)-3-methylpentan-2-yl]hydrazine
CID 105214988
3-(2-bromophenyl)-1,1-difluoropropan-2-ol
CID 112699172
[1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247124
1-(2-bromophenyl)-2-methylpentan-3-one
CID 10967063
1-(2-bromophenyl)-N-ethyl-3,5-dimethylhexan-2-amine
CID 114284863

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene?
The IUPAC name of 1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene (CID 134968828) is 1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene.
What is the SMILES notation for 1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene?
The canonical SMILES for 1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene is CC(Cc1ccccc1Br)C(F)(F)F.
What is the InChIKey of 1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene?
The InChIKey is LFOSGUIUBQXGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3/c1-7(10(12,13)14)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3.
What are the key properties of 1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene?
1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene has a molecular weight of 267.09 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene is sourced from PubChem (CID 134968828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).