(4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine

C9H11ClF3N — CID 142143158

IUPAC(4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine
SMILESC=C(Cl)/C(=C\C(=CC)NC)C(F)(F)F
InChIInChI=1S/C9H11ClF3N/c1-4-7(14-3)5-8(6(2)10)9(11,12)13/h4-5,14H,2H2,1,3H3/b7-4?,8-5+
InChIKeyOBUXMHBIZZKYGN-SNRNYVCESA-N
MW225.64 g/mol
LogP3.35
Rot. Bonds3

About (4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine

(4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine (PubChem CID 142143158) has the molecular formula C9H11ClF3N and a molecular weight of 225.64 g/mol. Its IUPAC name is (4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine
PubChem CID142143158
Molecular FormulaC9H11ClF3N
Molecular Weight225.64 g/mol
Exact Mass225.05
IUPAC Name(4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine
SMILESC=C(Cl)/C(=C\C(=CC)NC)C(F)(F)F
InChIInChI=1S/C9H11ClF3N/c1-4-7(14-3)5-8(6(2)10)9(11,12)13/h4-5,14H,2H2,1,3H3/b7-4?,8-5+
InChIKeyOBUXMHBIZZKYGN-SNRNYVCESA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 53.35
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 (4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine?
The IUPAC name of (4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine (CID 142143158) is (4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine?
The canonical SMILES for (4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine is C=C(Cl)/C(=C\C(=CC)NC)C(F)(F)F.
What is the InChIKey of (4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine?
The InChIKey is OBUXMHBIZZKYGN-SNRNYVCESA-N. The full InChI is InChI=1S/C9H11ClF3N/c1-4-7(14-3)5-8(6(2)10)9(11,12)13/h4-5,14H,2H2,1,3H3/b7-4?,8-5+.
What are the key properties of (4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine?
(4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine has a molecular weight of 225.64 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-chloro-N-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 142143158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).