5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine

C15H23F5N2 — CID 174004294

IUPAC5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine
SMILESC/C=C(\N=C/C(=C\C)C(F)(F)F)NCCC(C)CC(C)(F)F
InChIInChI=1S/C15H23F5N2/c1-5-12(15(18,19)20)10-22-13(6-2)21-8-7-11(3)9-14(4,16)17/h5-6,10-11,21H,7-9H2,1-4H3/b12-5+,13-6-,22-10?
InChIKeyNMGADMSJDAPDNC-KNWUCAPQSA-N
MW326.35 g/mol
LogP5.09
Rot. Bonds8

About 5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine

5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine (PubChem CID 174004294) has the molecular formula C15H23F5N2 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine.

Molecular Properties

Compound Name5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine
PubChem CID174004294
Molecular FormulaC15H23F5N2
Molecular Weight326.35 g/mol
Exact Mass326.18
IUPAC Name5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine
SMILESC/C=C(\N=C/C(=C\C)C(F)(F)F)NCCC(C)CC(C)(F)F
InChIInChI=1S/C15H23F5N2/c1-5-12(15(18,19)20)10-22-13(6-2)21-8-7-11(3)9-14(4,16)17/h5-6,10-11,21H,7-9H2,1-4H3/b12-5+,13-6-,22-10?
InChIKeyNMGADMSJDAPDNC-KNWUCAPQSA-N
XLogP5.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.35
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine?
The IUPAC name of 5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine (CID 174004294) is 5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine.
What is the SMILES notation for 5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine?
The canonical SMILES for 5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine is C/C=C(\N=C/C(=C\C)C(F)(F)F)NCCC(C)CC(C)(F)F.
What is the InChIKey of 5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine?
The InChIKey is NMGADMSJDAPDNC-KNWUCAPQSA-N. The full InChI is InChI=1S/C15H23F5N2/c1-5-12(15(18,19)20)10-22-13(6-2)21-8-7-11(3)9-14(4,16)17/h5-6,10-11,21H,7-9H2,1-4H3/b12-5+,13-6-,22-10?.
What are the key properties of 5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine?
5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine has a molecular weight of 326.35 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine is sourced from PubChem (CID 174004294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).