(6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine

C17H15ClF3N — CID 134343977

IUPAC(6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(c2ccc(C(F)(F)F)cc2Cl)=C(CC)\C1=C\C
InChIInChI=1S/C17H15ClF3N/c1-3-11-12(4-2)16(22)8-7-13(11)14-6-5-10(9-15(14)18)17(19,20)21/h4-9,22H,3H2,1-2H3/b12-4-,22-16+
InChIKeyVZCAXZRUVPTIJV-IKMBRSQWSA-N
MW325.76 g/mol
LogP6.06
Rot. Bonds2

About (6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine

(6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine (PubChem CID 134343977) has the molecular formula C17H15ClF3N and a molecular weight of 325.76 g/mol. Its IUPAC name is (6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine
PubChem CID134343977
Molecular FormulaC17H15ClF3N
Molecular Weight325.76 g/mol
Exact Mass325.08
IUPAC Name(6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(c2ccc(C(F)(F)F)cc2Cl)=C(CC)\C1=C\C
InChIInChI=1S/C17H15ClF3N/c1-3-11-12(4-2)16(22)8-7-13(11)14-6-5-10(9-15(14)18)17(19,20)21/h4-9,22H,3H2,1-2H3/b12-4-,22-16+
InChIKeyVZCAXZRUVPTIJV-IKMBRSQWSA-N
XLogP6.06
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.76
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine (CID 134343977) is (6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC(c2ccc(C(F)(F)F)cc2Cl)=C(CC)\C1=C\C.
What is the InChIKey of (6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is VZCAXZRUVPTIJV-IKMBRSQWSA-N. The full InChI is InChI=1S/C17H15ClF3N/c1-3-11-12(4-2)16(22)8-7-13(11)14-6-5-10(9-15(14)18)17(19,20)21/h4-9,22H,3H2,1-2H3/b12-4-,22-16+.
What are the key properties of (6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine?
(6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 325.76 g/mol, XLogP of 6.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-4-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethyl-6-ethylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 134343977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).