(3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine

C8H9ClF3N — CID 143206090

IUPAC(3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
SMILESC=C(/C=C(\C(=C)Cl)C(F)(F)F)NC
InChIInChI=1S/C8H9ClF3N/c1-5(13-3)4-7(6(2)9)8(10,11)12/h4,13H,1-2H2,3H3/b7-4+
InChIKeyFWCLYQLWHJYRON-QPJJXVBHSA-N
MW211.61 g/mol
LogP2.96
Rot. Bonds3

About (3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine

(3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine (PubChem CID 143206090) has the molecular formula C8H9ClF3N and a molecular weight of 211.61 g/mol. Its IUPAC name is (3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
PubChem CID143206090
Molecular FormulaC8H9ClF3N
Molecular Weight211.61 g/mol
Exact Mass211.04
IUPAC Name(3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
SMILESC=C(/C=C(\C(=C)Cl)C(F)(F)F)NC
InChIInChI=1S/C8H9ClF3N/c1-5(13-3)4-7(6(2)9)8(10,11)12/h4,13H,1-2H2,3H3/b7-4+
InChIKeyFWCLYQLWHJYRON-QPJJXVBHSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 130377922
(2E,4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine;ethane
CID 142143157
(3E)-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 143206128
(4E)-N,2-dimethyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 144203875
(1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine
CID 166850149
4-chloro-N-methyl-7-(trifluoromethyl)cyclohepta-1,2,4,6-tetraen-1-amine
CID 176542622
(4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 142143158
(2E,4E)-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 143155923
(1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine
CID 143206988
(2Z,4E)-3-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine
CID 144165439
(2E,4E)-6,6-difluoro-N,5-dimethylhepta-2,4-dien-3-amine
CID 153390123

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine (CID 143206090) is (3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine is C=C(/C=C(\C(=C)Cl)C(F)(F)F)NC.
What is the InChIKey of (3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
The InChIKey is FWCLYQLWHJYRON-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H9ClF3N/c1-5(13-3)4-7(6(2)9)8(10,11)12/h4,13H,1-2H2,3H3/b7-4+.
What are the key properties of (3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
(3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine has a molecular weight of 211.61 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143206090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).