1-(2-bromopropyl)-3-(trifluoromethyl)benzene

C10H10BrF3 — CID 14025642

IUPAC1-(2-bromopropyl)-3-(trifluoromethyl)benzene
SMILESCC(Br)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10BrF3/c1-7(11)5-8-3-2-4-9(6-8)10(12,13)14/h2-4,6-7H,5H2,1H3
InChIKeyYAKFSKXFVBZTOC-UHFFFAOYSA-N
MW267.09 g/mol
LogP4.03
Rot. Bonds2

About 1-(2-bromopropyl)-3-(trifluoromethyl)benzene

1-(2-bromopropyl)-3-(trifluoromethyl)benzene (PubChem CID 14025642) has the molecular formula C10H10BrF3 and a molecular weight of 267.09 g/mol. Its IUPAC name is 1-(2-bromopropyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-bromopropyl)-3-(trifluoromethyl)benzene
PubChem CID14025642
Molecular FormulaC10H10BrF3
Molecular Weight267.09 g/mol
Exact Mass265.99
IUPAC Name1-(2-bromopropyl)-3-(trifluoromethyl)benzene
SMILESCC(Br)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10BrF3/c1-7(11)5-8-3-2-4-9(6-8)10(12,13)14/h2-4,6-7H,5H2,1H3
InChIKeyYAKFSKXFVBZTOC-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
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

[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
1-(3-bromo-2-methyl-3-phenylpropyl)-3-(trifluoromethyl)benzene
CID 104846538
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron
CID 175261981
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromopropyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-bromopropyl)-3-(trifluoromethyl)benzene (CID 14025642) is 1-(2-bromopropyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-bromopropyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-bromopropyl)-3-(trifluoromethyl)benzene is CC(Br)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-bromopropyl)-3-(trifluoromethyl)benzene?
The InChIKey is YAKFSKXFVBZTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3/c1-7(11)5-8-3-2-4-9(6-8)10(12,13)14/h2-4,6-7H,5H2,1H3.
What are the key properties of 1-(2-bromopropyl)-3-(trifluoromethyl)benzene?
1-(2-bromopropyl)-3-(trifluoromethyl)benzene has a molecular weight of 267.09 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromopropyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 14025642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).