N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridin-2-amine

C10H9ClF6N2 — CID 107490470

IUPACN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)CN(CCCl)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H9ClF6N2/c11-4-5-19(6-9(12,13)14)8-3-1-2-7(18-8)10(15,16)17/h1-3H,4-6H2
InChIKeyHOWFBSDTKVIERS-UHFFFAOYSA-N
MW306.64 g/mol
LogP3.71
Rot. Bonds4

About N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridin-2-amine

N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 107490470) has the molecular formula C10H9ClF6N2 and a molecular weight of 306.64 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID107490470
Molecular FormulaC10H9ClF6N2
Molecular Weight306.64 g/mol
Exact Mass306.04
IUPAC NameN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)CN(CCCl)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H9ClF6N2/c11-4-5-19(6-9(12,13)14)8-3-1-2-7(18-8)10(15,16)17/h1-3H,4-6H2
InChIKeyHOWFBSDTKVIERS-UHFFFAOYSA-N
XLogP3.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.64
LogP ≤ 53.71
H-Bond Donors ≤ 50
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-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridin-2-amine (CID 107490470) is N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridin-2-amine is FC(F)(F)CN(CCCl)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HOWFBSDTKVIERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF6N2/c11-4-5-19(6-9(12,13)14)8-3-1-2-7(18-8)10(15,16)17/h1-3H,4-6H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridin-2-amine?
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 306.64 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 107490470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).