2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene

C13H14BrF3 — CID 117104274

IUPAC2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C2CCCCC2)c(Br)c1
InChIInChI=1S/C13H14BrF3/c14-12-8-10(13(15,16)17)6-7-11(12)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyWGXSFQFHEGSXNK-UHFFFAOYSA-N
MW307.15 g/mol
LogP5.52
Rot. Bonds1

About 2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene

2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene (PubChem CID 117104274) has the molecular formula C13H14BrF3 and a molecular weight of 307.15 g/mol. Its IUPAC name is 2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene
PubChem CID117104274
Molecular FormulaC13H14BrF3
Molecular Weight307.15 g/mol
Exact Mass306.02
IUPAC Name2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C2CCCCC2)c(Br)c1
InChIInChI=1S/C13H14BrF3/c14-12-8-10(13(15,16)17)6-7-11(12)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyWGXSFQFHEGSXNK-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.15
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclohexyl-5-(trifluoromethyl)phenol
CID 117104272
2-cyclopentyl-5-(trifluoromethyl)phenol
CID 117104152
2-cyclohexyl-4-(trifluoromethyl)aniline
CID 117104242
(1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 58591930
(2-bromo-4-ethynylphenyl)cycloheptane
CID 54072483
1-(3-bromo-4-cyclohexylphenyl)ethanamine
CID 117453319
1-(3-bromo-4-cyclopentylphenyl)ethanamine
CID 83844709
4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene
CID 158368291
2-[2-bromo-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 115511652
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium
CID 166005175
2-bromo-N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)aniline
CID 115511701

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene?
The IUPAC name of 2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene (CID 117104274) is 2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(C2CCCCC2)c(Br)c1.
What is the InChIKey of 2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene?
The InChIKey is WGXSFQFHEGSXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3/c14-12-8-10(13(15,16)17)6-7-11(12)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of 2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene?
2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene has a molecular weight of 307.15 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 117104274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).