ethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine

C19H39F2N — CID 143346786

IUPACethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine
SMILESC=C/C(=C(\C=C/C)C(C)NC)C(F)(F)CC.CC.CC.CC
InChIInChI=1S/C13H21F2N.3C2H6/c1-6-9-11(10(4)16-5)12(7-2)13(14,15)8-3;3*1-2/h6-7,9-10,16H,2,8H2,1,3-5H3;3*1-2H3/b9-6-,12-11-;;;
InChIKeyDKZTXFOFWJDVJP-AIVMATHZSA-N
MW319.52 g/mol
LogP6.78
Rot. Bonds6

About ethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine

ethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine (PubChem CID 143346786) has the molecular formula C19H39F2N and a molecular weight of 319.52 g/mol. Its IUPAC name is ethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine
PubChem CID143346786
Molecular FormulaC19H39F2N
Molecular Weight319.52 g/mol
Exact Mass319.31
IUPAC Nameethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine
SMILESC=C/C(=C(\C=C/C)C(C)NC)C(F)(F)CC.CC.CC.CC
InChIInChI=1S/C13H21F2N.3C2H6/c1-6-9-11(10(4)16-5)12(7-2)13(14,15)8-3;3*1-2/h6-7,9-10,16H,2,8H2,1,3-5H3;3*1-2H3/b9-6-,12-11-;;;
InChIKeyDKZTXFOFWJDVJP-AIVMATHZSA-N
XLogP6.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.52
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine with MolForge

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Related Compounds

4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956
(3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine
CID 88998055
(E,2R)-4-fluoro-N-methyl-3-methylidenehex-4-en-2-amine
CID 117854387
(E)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451131
(Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451142
(Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine
CID 126659142
N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine
CID 126728484
(2Z,3E)-5-N-[(3E,5Z)-3-[(E)-2-amino-2-fluoroethenyl]-5-methylhepta-3,5-dien-2-yl]-2-[(E)-3-(trifluoromethyl)hex-2-enylidene]hexa-3,5-diene-1,5-diamine
CID 129089637
(E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine
CID 129302973
(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine
CID 129313875
(3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine
CID 130242942
(2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine
CID 134365692

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine?
The IUPAC name of ethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine (CID 143346786) is ethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine.
What is the SMILES notation for ethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine?
The canonical SMILES for ethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine is C=C/C(=C(\C=C/C)C(C)NC)C(F)(F)CC.CC.CC.CC.
What is the InChIKey of ethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine?
The InChIKey is DKZTXFOFWJDVJP-AIVMATHZSA-N. The full InChI is InChI=1S/C13H21F2N.3C2H6/c1-6-9-11(10(4)16-5)12(7-2)13(14,15)8-3;3*1-2/h6-7,9-10,16H,2,8H2,1,3-5H3;3*1-2H3/b9-6-,12-11-;;;.
What are the key properties of ethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine?
ethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine has a molecular weight of 319.52 g/mol, XLogP of 6.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-4-ethenyl-5,5-difluoro-N-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-amine is sourced from PubChem (CID 143346786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).