1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine

C13H21F2N — CID 166907556

IUPAC1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine
SMILESCCC=C/C(=N\C=C(/C)CCCC)C(F)F
InChIInChI=1S/C13H21F2N/c1-4-6-8-11(3)10-16-12(13(14)15)9-7-5-2/h7,9-10,13H,4-6,8H2,1-3H3/b9-7?,11-10+,16-12+
InChIKeySVVCUPWWHGRWAV-UWJUABAVSA-N
MW229.31 g/mol
LogP4.75
Rot. Bonds7

About 1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine

1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine (PubChem CID 166907556) has the molecular formula C13H21F2N and a molecular weight of 229.31 g/mol. Its IUPAC name is 1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine.

Molecular Properties

Compound Name1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine
PubChem CID166907556
Molecular FormulaC13H21F2N
Molecular Weight229.31 g/mol
Exact Mass229.16
IUPAC Name1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine
SMILESCCC=C/C(=N\C=C(/C)CCCC)C(F)F
InChIInChI=1S/C13H21F2N/c1-4-6-8-11(3)10-16-12(13(14)15)9-7-5-2/h7,9-10,13H,4-6,8H2,1-3H3/b9-7?,11-10+,16-12+
InChIKeySVVCUPWWHGRWAV-UWJUABAVSA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine with MolForge

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

Launch Full Analysis

Related Compounds

3-propan-2-yl-7-(trifluoromethyl)-4H-azepine
CID 90882163
N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine
CID 121405090
(2E,6E)-3-methyl-6-(trifluoromethyl)-4,5-dihydroazocine
CID 130243053
(2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine
CID 135292598
[1-fluoro-1-[3-(1-fluoroethyl)-4H-azepin-7-yl]propyl]phosphane
CID 137467737
(3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine
CID 142448631
3-methyl-7-(trifluoromethyl)-4H-azepine
CID 142851450
(E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine
CID 142927437
ethene;(E)-N-methyl-5-(trifluoromethyl)oct-5-en-4-imine
CID 144144881
ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine
CID 144801043
ethane;(Z)-1,1,1-trifluoro-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 145149525
5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine
CID 146429564

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine?
The IUPAC name of 1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine (CID 166907556) is 1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine.
What is the SMILES notation for 1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine?
The canonical SMILES for 1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine is CCC=C/C(=N\C=C(/C)CCCC)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine?
The InChIKey is SVVCUPWWHGRWAV-UWJUABAVSA-N. The full InChI is InChI=1S/C13H21F2N/c1-4-6-8-11(3)10-16-12(13(14)15)9-7-5-2/h7,9-10,13H,4-6,8H2,1-3H3/b9-7?,11-10+,16-12+.
What are the key properties of 1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine?
1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine has a molecular weight of 229.31 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(E)-2-methylhex-1-enyl]hex-3-en-2-imine is sourced from PubChem (CID 166907556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).