3-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine

C12H12ClF3N2 — CID 1488529

IUPAC3-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESC=CCN(CC=C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H12ClF3N2/c1-3-5-18(6-4-2)11-10(13)7-9(8-17-11)12(14,15)16/h3-4,7-8H,1-2,5-6H2
InChIKeyDLDAMGPZOZEWBN-UHFFFAOYSA-N
MW276.69 g/mol
LogP3.93
Rot. Bonds5

About 3-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 1488529) has the molecular formula C12H12ClF3N2 and a molecular weight of 276.69 g/mol. Its IUPAC name is 3-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID1488529
Molecular FormulaC12H12ClF3N2
Molecular Weight276.69 g/mol
Exact Mass276.06
IUPAC Name3-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESC=CCN(CC=C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H12ClF3N2/c1-3-5-18(6-4-2)11-10(13)7-9(8-17-11)12(14,15)16/h3-4,7-8H,1-2,5-6H2
InChIKeyDLDAMGPZOZEWBN-UHFFFAOYSA-N
XLogP3.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine (CID 1488529) is 3-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine is C=CCN(CC=C)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DLDAMGPZOZEWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2/c1-3-5-18(6-4-2)11-10(13)7-9(8-17-11)12(14,15)16/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 3-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 276.69 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 1488529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).