1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene

C13H14BrF3 — CID 64508710

IUPAC1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(CC2CCC(Br)C2)cc1
InChIInChI=1S/C13H14BrF3/c14-12-6-3-10(8-12)7-9-1-4-11(5-2-9)13(15,16)17/h1-2,4-5,10,12H,3,6-8H2
InChIKeyFAQUYUJXRHTVLM-UHFFFAOYSA-N
MW307.15 g/mol
LogP4.81
Rot. Bonds2

About 1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene

1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene (PubChem CID 64508710) has the molecular formula C13H14BrF3 and a molecular weight of 307.15 g/mol. Its IUPAC name is 1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene
PubChem CID64508710
Molecular FormulaC13H14BrF3
Molecular Weight307.15 g/mol
Exact Mass306.02
IUPAC Name1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(CC2CCC(Br)C2)cc1
InChIInChI=1S/C13H14BrF3/c14-12-6-3-10(8-12)7-9-1-4-11(5-2-9)13(15,16)17/h1-2,4-5,10,12H,3,6-8H2
InChIKeyFAQUYUJXRHTVLM-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
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-bromo-4-[(3-bromocyclopentyl)methyl]benzene
CID 64509389
1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene
CID 64506471
4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 83261999
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride
CID 47002379
N-buta-1,3-dien-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 156720635
1-(2-bromo-3-cyclopropylpropyl)-4-(trifluoromethyl)benzene
CID 55224852
3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine
CID 64506233
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene (CID 64508710) is 1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(CC2CCC(Br)C2)cc1.
What is the InChIKey of 1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene?
The InChIKey is FAQUYUJXRHTVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3/c14-12-6-3-10(8-12)7-9-1-4-11(5-2-9)13(15,16)17/h1-2,4-5,10,12H,3,6-8H2.
What are the key properties of 1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene?
1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene has a molecular weight of 307.15 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 64508710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).