1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide

C8H13BrFNO — CID 126996518

IUPAC1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide
SMILESO=C(NCCF)C1(Br)CCCC1
InChIInChI=1S/C8H13BrFNO/c9-8(3-1-2-4-8)7(12)11-6-5-10/h1-6H2,(H,11,12)
InChIKeyARMQAPAVVYYQLU-UHFFFAOYSA-N
MW238.10 g/mol
LogP1.78
Rot. Bonds3

About 1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide

1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide (PubChem CID 126996518) has the molecular formula C8H13BrFNO and a molecular weight of 238.10 g/mol. Its IUPAC name is 1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide
PubChem CID126996518
Molecular FormulaC8H13BrFNO
Molecular Weight238.10 g/mol
Exact Mass237.02
IUPAC Name1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide
SMILESO=C(NCCF)C1(Br)CCCC1
InChIInChI=1S/C8H13BrFNO/c9-8(3-1-2-4-8)7(12)11-6-5-10/h1-6H2,(H,11,12)
InChIKeyARMQAPAVVYYQLU-UHFFFAOYSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide (CID 126996518) is 1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide is O=C(NCCF)C1(Br)CCCC1.
What is the InChIKey of 1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide?
The InChIKey is ARMQAPAVVYYQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrFNO/c9-8(3-1-2-4-8)7(12)11-6-5-10/h1-6H2,(H,11,12).
What are the key properties of 1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide?
1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide has a molecular weight of 238.10 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2-fluoroethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 126996518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).