N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine

C12H14ClF3N2 — CID 106124330

IUPACN-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCC2CCC(Cl)C2)c1
InChIInChI=1S/C12H14ClF3N2/c13-10-2-1-8(5-10)7-18-11-6-9(3-4-17-11)12(14,15)16/h3-4,6,8,10H,1-2,5,7H2,(H,17,18)
InChIKeyWGGMGZFDEKTPNT-UHFFFAOYSA-N
MW278.70 g/mol
LogP3.92
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine

N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 106124330) has the molecular formula C12H14ClF3N2 and a molecular weight of 278.70 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID106124330
Molecular FormulaC12H14ClF3N2
Molecular Weight278.70 g/mol
Exact Mass278.08
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCC2CCC(Cl)C2)c1
InChIInChI=1S/C12H14ClF3N2/c13-10-2-1-8(5-10)7-18-11-6-9(3-4-17-11)12(14,15)16/h3-4,6,8,10H,1-2,5,7H2,(H,17,18)
InChIKeyWGGMGZFDEKTPNT-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
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-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 106124330) is N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccnc(NCC2CCC(Cl)C2)c1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WGGMGZFDEKTPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2/c13-10-2-1-8(5-10)7-18-11-6-9(3-4-17-11)12(14,15)16/h3-4,6,8,10H,1-2,5,7H2,(H,17,18).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 278.70 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106124330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).