1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene

C13H14BrF3 — CID 172860633

IUPAC1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1C1(CBr)CCCC1
InChIInChI=1S/C13H14BrF3/c14-9-12(7-3-4-8-12)10-5-1-2-6-11(10)13(15,16)17/h1-2,5-6H,3-4,7-9H2
InChIKeyZHMGRTSYBARFFW-UHFFFAOYSA-N
MW307.15 g/mol
LogP4.91
Rot. Bonds2

About 1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene

1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene (PubChem CID 172860633) has the molecular formula C13H14BrF3 and a molecular weight of 307.15 g/mol. Its IUPAC name is 1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene
PubChem CID172860633
Molecular FormulaC13H14BrF3
Molecular Weight307.15 g/mol
Exact Mass306.02
IUPAC Name1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1C1(CBr)CCCC1
InChIInChI=1S/C13H14BrF3/c14-9-12(7-3-4-8-12)10-5-1-2-6-11(10)13(15,16)17/h1-2,5-6H,3-4,7-9H2
InChIKeyZHMGRTSYBARFFW-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 54.91
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

1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene
CID 83693048
[3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine
CID 115051446
1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 83412138
1-(bromomethyl)-1-[[2-(trifluoromethyl)phenoxy]methyl]cycloheptane
CID 65010543
4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine
CID 91662828
1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carbaldehyde
CID 59680954
2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol
CID 117113245
[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine
CID 117396517
[1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117492962
2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
CID 117113373
4-(bromomethyl)-4-(2-fluorophenyl)oxane
CID 82093429
2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 113483854

Frequently Asked Questions

What is the IUPAC name of 1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene (CID 172860633) is 1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene is FC(F)(F)c1ccccc1C1(CBr)CCCC1.
What is the InChIKey of 1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene?
The InChIKey is ZHMGRTSYBARFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3/c14-9-12(7-3-4-8-12)10-5-1-2-6-11(10)13(15,16)17/h1-2,5-6H,3-4,7-9H2.
What are the key properties of 1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene?
1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene has a molecular weight of 307.15 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 172860633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).