(2Z,4Z)-5-chloro-N-methyl-3-(trifluoromethyl)hexa-2,4-dien-2-amine

C8H11ClF3N — CID 162601786

IUPAC(2Z,4Z)-5-chloro-N-methyl-3-(trifluoromethyl)hexa-2,4-dien-2-amine
SMILESCN/C(C)=C(/C=C(/C)Cl)C(F)(F)F
InChIInChI=1S/C8H11ClF3N/c1-5(9)4-7(6(2)13-3)8(10,11)12/h4,13H,1-3H3/b5-4-,7-6-
InChIKeyHPLPRLGXVUHBBS-RZSVFLSASA-N
MW213.63 g/mol
LogP3.18
Rot. Bonds2

About (2Z,4Z)-5-chloro-N-methyl-3-(trifluoromethyl)hexa-2,4-dien-2-amine

(2Z,4Z)-5-chloro-N-methyl-3-(trifluoromethyl)hexa-2,4-dien-2-amine (PubChem CID 162601786) has the molecular formula C8H11ClF3N and a molecular weight of 213.63 g/mol. Its IUPAC name is (2Z,4Z)-5-chloro-N-methyl-3-(trifluoromethyl)hexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-5-chloro-N-methyl-3-(trifluoromethyl)hexa-2,4-dien-2-amine
PubChem CID162601786
Molecular FormulaC8H11ClF3N
Molecular Weight213.63 g/mol
Exact Mass213.05
IUPAC Name(2Z,4Z)-5-chloro-N-methyl-3-(trifluoromethyl)hexa-2,4-dien-2-amine
SMILESCN/C(C)=C(/C=C(/C)Cl)C(F)(F)F
InChIInChI=1S/C8H11ClF3N/c1-5(9)4-7(6(2)13-3)8(10,11)12/h4,13H,1-3H3/b5-4-,7-6-
InChIKeyHPLPRLGXVUHBBS-RZSVFLSASA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.63
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-chloro-N-methyl-3-(trifluoromethyl)hexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-5-chloro-N-methyl-3-(trifluoromethyl)hexa-2,4-dien-2-amine (CID 162601786) is (2Z,4Z)-5-chloro-N-methyl-3-(trifluoromethyl)hexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-5-chloro-N-methyl-3-(trifluoromethyl)hexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-5-chloro-N-methyl-3-(trifluoromethyl)hexa-2,4-dien-2-amine is CN/C(C)=C(/C=C(/C)Cl)C(F)(F)F.
What is the InChIKey of (2Z,4Z)-5-chloro-N-methyl-3-(trifluoromethyl)hexa-2,4-dien-2-amine?
The InChIKey is HPLPRLGXVUHBBS-RZSVFLSASA-N. The full InChI is InChI=1S/C8H11ClF3N/c1-5(9)4-7(6(2)13-3)8(10,11)12/h4,13H,1-3H3/b5-4-,7-6-.
What are the key properties of (2Z,4Z)-5-chloro-N-methyl-3-(trifluoromethyl)hexa-2,4-dien-2-amine?
(2Z,4Z)-5-chloro-N-methyl-3-(trifluoromethyl)hexa-2,4-dien-2-amine has a molecular weight of 213.63 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-chloro-N-methyl-3-(trifluoromethyl)hexa-2,4-dien-2-amine is sourced from PubChem (CID 162601786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).