1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine

C8H14ClF2N — CID 65025598

IUPAC1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine
SMILESFC(F)CNC1(CCl)CCCC1
InChIInChI=1S/C8H14ClF2N/c9-6-8(3-1-2-4-8)12-5-7(10)11/h7,12H,1-6H2
InChIKeyUAVGVGYGNUERPA-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.39
Rot. Bonds4

About 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine

1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine (PubChem CID 65025598) has the molecular formula C8H14ClF2N and a molecular weight of 197.66 g/mol. Its IUPAC name is 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine
PubChem CID65025598
Molecular FormulaC8H14ClF2N
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine
SMILESFC(F)CNC1(CCl)CCCC1
InChIInChI=1S/C8H14ClF2N/c9-6-8(3-1-2-4-8)12-5-7(10)11/h7,12H,1-6H2
InChIKeyUAVGVGYGNUERPA-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine
CID 65024555
1-(chloromethyl)-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 65024773
1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 65024933
1-(chloromethyl)-N-(3,3,3-trifluoropropyl)cyclopentan-1-amine
CID 65025768
1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 65026213
3-(chloromethyl)-N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 65029745
N-[(2-chlorocyclopentyl)methyl]-2,2-difluoroethanamine
CID 65833469
N-[(2-chlorocyclopentyl)methyl]-2,2,2-trifluoroethanamine
CID 65833660
N-[(2-chlorocyclopentyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 65834274
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,2,2-trifluoroethanamine
CID 65926692
N-[(2-chlorocyclopentyl)methyl]-2-fluoroethanamine
CID 80694169
1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80695805

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine (CID 65025598) is 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine is FC(F)CNC1(CCl)CCCC1.
What is the InChIKey of 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine?
The InChIKey is UAVGVGYGNUERPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF2N/c9-6-8(3-1-2-4-8)12-5-7(10)11/h7,12H,1-6H2.
What are the key properties of 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine?
1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine has a molecular weight of 197.66 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine is sourced from PubChem (CID 65025598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).