N-[1-(chloromethyl)cyclopentyl]-6-(trifluoromethyl)pyridin-2-amine

C12H14ClF3N2 — CID 65029223

IUPACN-[1-(chloromethyl)cyclopentyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NC2(CCl)CCCC2)n1
InChIInChI=1S/C12H14ClF3N2/c13-8-11(6-1-2-7-11)18-10-5-3-4-9(17-10)12(14,15)16/h3-5H,1-2,6-8H2,(H,17,18)
InChIKeyKUUKKQCKHXTBSP-UHFFFAOYSA-N
MW278.70 g/mol
LogP4.06
Rot. Bonds3

About N-[1-(chloromethyl)cyclopentyl]-6-(trifluoromethyl)pyridin-2-amine

N-[1-(chloromethyl)cyclopentyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 65029223) has the molecular formula C12H14ClF3N2 and a molecular weight of 278.70 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID65029223
Molecular FormulaC12H14ClF3N2
Molecular Weight278.70 g/mol
Exact Mass278.08
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NC2(CCl)CCCC2)n1
InChIInChI=1S/C12H14ClF3N2/c13-8-11(6-1-2-7-11)18-10-5-3-4-9(17-10)12(14,15)16/h3-5H,1-2,6-8H2,(H,17,18)
InChIKeyKUUKKQCKHXTBSP-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[1-(chloromethyl)cyclopentyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-6-(trifluoromethyl)pyridin-2-amine (CID 65029223) is N-[1-(chloromethyl)cyclopentyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-6-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccc(NC2(CCl)CCCC2)n1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KUUKKQCKHXTBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2/c13-8-11(6-1-2-7-11)18-10-5-3-4-9(17-10)12(14,15)16/h3-5H,1-2,6-8H2,(H,17,18).
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-6-(trifluoromethyl)pyridin-2-amine?
N-[1-(chloromethyl)cyclopentyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 278.70 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 65029223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).