2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine

C11H18ClF2N — CID 131064865

IUPAC2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine
SMILESFC1(F)CCC(CNC2CCCC2Cl)C1
InChIInChI=1S/C11H18ClF2N/c12-9-2-1-3-10(9)15-7-8-4-5-11(13,14)6-8/h8-10,15H,1-7H2
InChIKeyPDNKYNAXSDCMKX-UHFFFAOYSA-N
MW237.72 g/mol
LogP3.17
Rot. Bonds3

About 2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine

2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine (PubChem CID 131064865) has the molecular formula C11H18ClF2N and a molecular weight of 237.72 g/mol. Its IUPAC name is 2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine
PubChem CID131064865
Molecular FormulaC11H18ClF2N
Molecular Weight237.72 g/mol
Exact Mass237.11
IUPAC Name2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine
SMILESFC1(F)CCC(CNC2CCCC2Cl)C1
InChIInChI=1S/C11H18ClF2N/c12-9-2-1-3-10(9)15-7-8-4-5-11(13,14)6-8/h8-10,15H,1-7H2
InChIKeyPDNKYNAXSDCMKX-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.72
LogP ≤ 53.17
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 2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine (CID 131064865) is 2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine is FC1(F)CCC(CNC2CCCC2Cl)C1.
What is the InChIKey of 2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine?
The InChIKey is PDNKYNAXSDCMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClF2N/c12-9-2-1-3-10(9)15-7-8-4-5-11(13,14)6-8/h8-10,15H,1-7H2.
What are the key properties of 2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine?
2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine has a molecular weight of 237.72 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,3-difluorocyclopentyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 131064865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).