1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine

C10H17ClF3N — CID 115518409

IUPAC1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
SMILESFC(F)(F)CCCNC1(CCl)CCCC1
InChIInChI=1S/C10H17ClF3N/c11-8-9(4-1-2-5-9)15-7-3-6-10(12,13)14/h15H,1-8H2
InChIKeyNQYTWSFPGIMDND-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.47
Rot. Bonds5

About 1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine

1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine (PubChem CID 115518409) has the molecular formula C10H17ClF3N and a molecular weight of 243.70 g/mol. Its IUPAC name is 1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
PubChem CID115518409
Molecular FormulaC10H17ClF3N
Molecular Weight243.70 g/mol
Exact Mass243.10
IUPAC Name1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
SMILESFC(F)(F)CCCNC1(CCl)CCCC1
InChIInChI=1S/C10H17ClF3N/c11-8-9(4-1-2-5-9)15-7-3-6-10(12,13)14/h15H,1-8H2
InChIKeyNQYTWSFPGIMDND-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2,2-difluoroethyl)cyclopentan-1-amine
CID 65025598
1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 65025714
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-difluoroethyl)pentan-3-amine
CID 65030089
3-(chloromethyl)-N-(3,3,3-trifluoropropyl)pentan-3-amine
CID 65030263
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

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine (CID 115518409) is 1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine is FC(F)(F)CCCNC1(CCl)CCCC1.
What is the InChIKey of 1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine?
The InChIKey is NQYTWSFPGIMDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3N/c11-8-9(4-1-2-5-9)15-7-3-6-10(12,13)14/h15H,1-8H2.
What are the key properties of 1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine?
1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine has a molecular weight of 243.70 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine is sourced from PubChem (CID 115518409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).