(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine

C14H18F3N — CID 139518460

IUPAC(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine
SMILESC=C(C)C(=C\C=C(/C)C(F)(F)F)/N=C(C)/C=C/C
InChIInChI=1S/C14H18F3N/c1-6-7-12(5)18-13(10(2)3)9-8-11(4)14(15,16)17/h6-9H,2H2,1,3-5H3/b7-6+,11-8+,13-9+,18-12+
InChIKeyKTQVPIIANXNYGL-KKLKZLTESA-N
MW257.30 g/mol
LogP4.99
Rot. Bonds4

About (E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine

(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine (PubChem CID 139518460) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is (E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine
PubChem CID139518460
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine
SMILESC=C(C)C(=C\C=C(/C)C(F)(F)F)/N=C(C)/C=C/C
InChIInChI=1S/C14H18F3N/c1-6-7-12(5)18-13(10(2)3)9-8-11(4)14(15,16)17/h6-9H,2H2,1,3-5H3/b7-6+,11-8+,13-9+,18-12+
InChIKeyKTQVPIIANXNYGL-KKLKZLTESA-N
XLogP4.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine
CID 126661402
N-[(1E,3E)-1-chloro-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]methanimine
CID 126510662
(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine
CID 130203930
(2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene
CID 166995937
tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate
CID 90989590
1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone
CID 175616692
(4Z)-2-methyl-3-propan-2-ylidenehexa-1,4-diene
CID 142293143
(E)-5-methylidene-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hept-3-en-2-imine
CID 126661770
(NZ)-N-[(E)-pent-3-en-2-ylidene]hydroxylamine
CID 101070438
(2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine
CID 134365692
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
N'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide
CID 153345700

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine?
The IUPAC name of (E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine (CID 139518460) is (E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine.
What is the SMILES notation for (E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine?
The canonical SMILES for (E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine is C=C(C)C(=C\C=C(/C)C(F)(F)F)/N=C(C)/C=C/C.
What is the InChIKey of (E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine?
The InChIKey is KTQVPIIANXNYGL-KKLKZLTESA-N. The full InChI is InChI=1S/C14H18F3N/c1-6-7-12(5)18-13(10(2)3)9-8-11(4)14(15,16)17/h6-9H,2H2,1,3-5H3/b7-6+,11-8+,13-9+,18-12+.
What are the key properties of (E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine?
(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine has a molecular weight of 257.30 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine is sourced from PubChem (CID 139518460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).