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

C26H29BrF6 — CID 158368291

IUPAC4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Br)ccc1C1CCCCC1.FC(F)(F)c1ccccc1C1CCCCC1
InChIInChI=1S/C13H14BrF3.C13H15F3/c14-10-6-7-11(9-4-2-1-3-5-9)12(8-10)13(15,16)17;14-13(15,16)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6-9H,1-5H2;4-5,8-10H,1-3,6-7H2
InChIKeyGUHHZYSJFYNTIE-UHFFFAOYSA-N
MW535.41 g/mol
LogP10.27
Rot. Bonds2

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

4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene (PubChem CID 158368291) has the molecular formula C26H29BrF6 and a molecular weight of 535.41 g/mol. Its IUPAC name is 4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene
PubChem CID158368291
Molecular FormulaC26H29BrF6
Molecular Weight535.41 g/mol
Exact Mass534.14
IUPAC Name4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Br)ccc1C1CCCCC1.FC(F)(F)c1ccccc1C1CCCCC1
InChIInChI=1S/C13H14BrF3.C13H15F3/c14-10-6-7-11(9-4-2-1-3-5-9)12(8-10)13(15,16)17;14-13(15,16)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6-9H,1-5H2;4-5,8-10H,1-3,6-7H2
InChIKeyGUHHZYSJFYNTIE-UHFFFAOYSA-N
XLogP10.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.41
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-bromo-2-(trifluoromethyl)phenyl]oxane
CID 155896673
1-chloro-3-[2-(trifluoromethyl)phenyl]cycloheptane
CID 64507732
1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene
CID 126723002
4-[2-(trifluoromethyl)phenyl]oxane
CID 90852424
4-[2-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
CID 175214465
4-bromo-1-cyclopentyl-2-fluorobenzene
CID 122471293
1-bromo-4-(2-cyclohexylphenyl)benzene
CID 156557060
[4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol
CID 140961429
4-cycloheptyl-3-(trifluoromethyl)benzamide
CID 143924548
4-bromo-2-chloro-1-cyclohexylbenzene
CID 158332061
1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene
CID 118269320
2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene
CID 117104274

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene?
The IUPAC name of 4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene (CID 158368291) is 4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(Br)ccc1C1CCCCC1.FC(F)(F)c1ccccc1C1CCCCC1.
What is the InChIKey of 4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene?
The InChIKey is GUHHZYSJFYNTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3.C13H15F3/c14-10-6-7-11(9-4-2-1-3-5-9)12(8-10)13(15,16)17;14-13(15,16)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6-9H,1-5H2;4-5,8-10H,1-3,6-7H2.
What are the key properties of 4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene?
4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene has a molecular weight of 535.41 g/mol, XLogP of 10.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 158368291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).