[1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane

C10H16BrF3S — CID 116617410

IUPAC[1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane
SMILESFC(F)(F)SCCCC(Br)C1CCCC1
InChIInChI=1S/C10H16BrF3S/c11-9(8-4-1-2-5-8)6-3-7-15-10(12,13)14/h8-9H,1-7H2
InChIKeyDHBPCFUFTBZPAL-UHFFFAOYSA-N
MW305.20 g/mol
LogP4.97
Rot. Bonds5

About [1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane

[1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane (PubChem CID 116617410) has the molecular formula C10H16BrF3S and a molecular weight of 305.20 g/mol. Its IUPAC name is [1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane.

Molecular Properties

Compound Name[1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane
PubChem CID116617410
Molecular FormulaC10H16BrF3S
Molecular Weight305.20 g/mol
Exact Mass304.01
IUPAC Name[1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane
SMILESFC(F)(F)SCCCC(Br)C1CCCC1
InChIInChI=1S/C10H16BrF3S/c11-9(8-4-1-2-5-8)6-3-7-15-10(12,13)14/h8-9H,1-7H2
InChIKeyDHBPCFUFTBZPAL-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane?
The IUPAC name of [1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane (CID 116617410) is [1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane.
What is the SMILES notation for [1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane?
The canonical SMILES for [1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane is FC(F)(F)SCCCC(Br)C1CCCC1.
What is the InChIKey of [1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane?
The InChIKey is DHBPCFUFTBZPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF3S/c11-9(8-4-1-2-5-8)6-3-7-15-10(12,13)14/h8-9H,1-7H2.
What are the key properties of [1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane?
[1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane has a molecular weight of 305.20 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-bromo-4-(trifluoromethylsulfanyl)butyl]cyclopentane is sourced from PubChem (CID 116617410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).