1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene

C14H10BrF3 — CID 18412167

IUPAC1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene
SMILESFC(F)(F)c1ccc(Cc2ccccc2Br)cc1
InChIInChI=1S/C14H10BrF3/c15-13-4-2-1-3-11(13)9-10-5-7-12(8-6-10)14(16,17)18/h1-8H,9H2
InChIKeyKVUGNOOAHBGDJW-UHFFFAOYSA-N
MW315.13 g/mol
LogP5.06
Rot. Bonds2

About 1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene

1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene (PubChem CID 18412167) has the molecular formula C14H10BrF3 and a molecular weight of 315.13 g/mol. Its IUPAC name is 1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene
PubChem CID18412167
Molecular FormulaC14H10BrF3
Molecular Weight315.13 g/mol
Exact Mass313.99
IUPAC Name1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene
SMILESFC(F)(F)c1ccc(Cc2ccccc2Br)cc1
InChIInChI=1S/C14H10BrF3/c15-13-4-2-1-3-11(13)9-10-5-7-12(8-6-10)14(16,17)18/h1-8H,9H2
InChIKeyKVUGNOOAHBGDJW-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.13
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 86225102
1-bromo-2-[(4-tert-butylphenyl)methyl]benzene
CID 171716628
2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 24723916
4-[(2-bromophenyl)methyl]benzoic acid
CID 116927223
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29031697
ethyl 2-[(2-bromophenyl)methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoacetate
CID 67189049
1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62829314
2-bromo-6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenol
CID 62732578
5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 157133438
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole
CID 158213423
2-[(2-bromophenyl)methylsulfinyl]-5-(trifluoromethyl)aniline
CID 81175445

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene?
The IUPAC name of 1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene (CID 18412167) is 1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene?
The canonical SMILES for 1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene is FC(F)(F)c1ccc(Cc2ccccc2Br)cc1.
What is the InChIKey of 1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene?
The InChIKey is KVUGNOOAHBGDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3/c15-13-4-2-1-3-11(13)9-10-5-7-12(8-6-10)14(16,17)18/h1-8H,9H2.
What are the key properties of 1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene?
1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene has a molecular weight of 315.13 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene is sourced from PubChem (CID 18412167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).