1-(bromomethyl)-1-(trifluoromethyl)cyclopentane

C7H10BrF3 — CID 121208299

IUPAC1-(bromomethyl)-1-(trifluoromethyl)cyclopentane
SMILESFC(F)(F)C1(CBr)CCCC1
InChIInChI=1S/C7H10BrF3/c8-5-6(7(9,10)11)3-1-2-4-6/h1-5H2
InChIKeyHMBITMZBULNKBO-UHFFFAOYSA-N
MW231.05 g/mol
LogP3.50
Rot. Bonds1

About 1-(bromomethyl)-1-(trifluoromethyl)cyclopentane

1-(bromomethyl)-1-(trifluoromethyl)cyclopentane (PubChem CID 121208299) has the molecular formula C7H10BrF3 and a molecular weight of 231.05 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(trifluoromethyl)cyclopentane
PubChem CID121208299
Molecular FormulaC7H10BrF3
Molecular Weight231.05 g/mol
Exact Mass229.99
IUPAC Name1-(bromomethyl)-1-(trifluoromethyl)cyclopentane
SMILESFC(F)(F)C1(CBr)CCCC1
InChIInChI=1S/C7H10BrF3/c8-5-6(7(9,10)11)3-1-2-4-6/h1-5H2
InChIKeyHMBITMZBULNKBO-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 53.50
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-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane
CID 146488466
1-(bromomethyl)cyclopentan-1-amine
CID 518855
N-[[1-(trifluoromethyl)cyclobutyl]methyl]propan-2-amine
CID 165469664
1,1-bis(bromomethyl)cyclopentane
CID 12651156
1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane
CID 165493036
[1-(2-fluoropropan-2-yl)cyclohexyl]methanamine
CID 83816490
1-(bromomethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]cyclopentane
CID 116627956
4-ethyl-1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidine
CID 155470209
1-methyl-1-(trifluoromethyl)cyclopentane
CID 45098338
1-(trifluoromethyl)cyclopentan-1-ol
CID 23506080
2-[1-(trifluoromethyl)cyclopropyl]acetaldehyde
CID 131117989
N-[[1-(bromomethyl)cycloheptyl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 65009978

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(trifluoromethyl)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(trifluoromethyl)cyclopentane (CID 121208299) is 1-(bromomethyl)-1-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(trifluoromethyl)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(trifluoromethyl)cyclopentane is FC(F)(F)C1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(trifluoromethyl)cyclopentane?
The InChIKey is HMBITMZBULNKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrF3/c8-5-6(7(9,10)11)3-1-2-4-6/h1-5H2.
What are the key properties of 1-(bromomethyl)-1-(trifluoromethyl)cyclopentane?
1-(bromomethyl)-1-(trifluoromethyl)cyclopentane has a molecular weight of 231.05 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 121208299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).