6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine

C11H11ClF6N2 — CID 102715736

IUPAC6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCN(CC(F)(F)F)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H11ClF6N2/c1-2-3-20(6-10(13,14)15)9-5-7(11(16,17)18)4-8(12)19-9/h4-5H,2-3,6H2,1H3
InChIKeyLAPLWAMFTQZWPD-UHFFFAOYSA-N
MW320.66 g/mol
LogP4.53
Rot. Bonds4

About 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715736) has the molecular formula C11H11ClF6N2 and a molecular weight of 320.66 g/mol. Its IUPAC name is 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715736
Molecular FormulaC11H11ClF6N2
Molecular Weight320.66 g/mol
Exact Mass320.05
IUPAC Name6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCN(CC(F)(F)F)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H11ClF6N2/c1-2-3-20(6-10(13,14)15)9-5-7(11(16,17)18)4-8(12)19-9/h4-5H,2-3,6H2,1H3
InChIKeyLAPLWAMFTQZWPD-UHFFFAOYSA-N
XLogP4.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715332
6-N-ethyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718090
N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715484
5-chloro-6-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 55009039
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
CID 102715690
6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715487
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol
CID 102715711
6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716058
4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55124566
6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715792
2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80964814
6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine
CID 79825411

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102715736) is 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine is CCCN(CC(F)(F)F)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LAPLWAMFTQZWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF6N2/c1-2-3-20(6-10(13,14)15)9-5-7(11(16,17)18)4-8(12)19-9/h4-5H,2-3,6H2,1H3.
What are the key properties of 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 320.66 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).