1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene

C14H10BrF3 — CID 124554901

IUPAC1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc([C@H](Br)c2ccccc2)c1
InChIInChI=1S/C14H10BrF3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16,17)18/h1-9,13H/t13-/m1/s1
InChIKeyDFWZAKDIUMJRIB-CYBMUJFWSA-N
MW315.13 g/mol
LogP5.19
Rot. Bonds2

About 1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene

1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene (PubChem CID 124554901) has the molecular formula C14H10BrF3 and a molecular weight of 315.13 g/mol. Its IUPAC name is 1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene
PubChem CID124554901
Molecular FormulaC14H10BrF3
Molecular Weight315.13 g/mol
Exact Mass313.99
IUPAC Name1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc([C@H](Br)c2ccccc2)c1
InChIInChI=1S/C14H10BrF3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16,17)18/h1-9,13H/t13-/m1/s1
InChIKeyDFWZAKDIUMJRIB-CYBMUJFWSA-N
XLogP5.19
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 ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[bromo-[3-(trifluoromethyl)phenyl]methyl]-1,2-dimethylbenzene
CID 63435678
4-[bromo-[3-(trifluoromethyl)phenyl]methyl]-2-fluoro-1-methoxybenzene
CID 63442755
CID 162573398
CID 162573398
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one
CID 70513343
2-[bromo-[3-(trifluoromethyl)phenyl]methyl]-1-methoxy-4-methylbenzene
CID 63443637
1-(4-bromo-4-phenylbutyl)-3-(trifluoromethyl)benzene
CID 64506557
2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole
CID 90932009
1-(3-bromo-2-methyl-3-phenylpropyl)-3-(trifluoromethyl)benzene
CID 104846538
(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene (CID 124554901) is 1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc([C@H](Br)c2ccccc2)c1.
What is the InChIKey of 1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene?
The InChIKey is DFWZAKDIUMJRIB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H10BrF3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16,17)18/h1-9,13H/t13-/m1/s1.
What are the key properties of 1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene?
1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene has a molecular weight of 315.13 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 124554901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).