(6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine

C21H33F2N — CID 166651414

IUPAC(6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine
SMILESC=C/N=C(CC(CC)C(C)(C)F)/C(=C/CC)/C=C(\C=C)C(C)(C)F
InChIInChI=1S/C21H33F2N/c1-9-13-16(14-17(10-2)20(5,6)22)19(24-12-4)15-18(11-3)21(7,8)23/h10,12-14,18H,2,4,9,11,15H2,1,3,5-8H3/b16-13+,17-14+,24-19+
InChIKeyXMRBPMMAICGJQT-SPIGWISPSA-N
MW337.50 g/mol
LogP6.93
Rot. Bonds10

About (6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine

(6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine (PubChem CID 166651414) has the molecular formula C21H33F2N and a molecular weight of 337.50 g/mol. Its IUPAC name is (6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine.

Molecular Properties

Compound Name(6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine
PubChem CID166651414
Molecular FormulaC21H33F2N
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name(6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine
SMILESC=C/N=C(CC(CC)C(C)(C)F)/C(=C/CC)/C=C(\C=C)C(C)(C)F
InChIInChI=1S/C21H33F2N/c1-9-13-16(14-17(10-2)20(5,6)22)19(24-12-4)15-18(11-3)21(7,8)23/h10,12-14,18H,2,4,9,11,15H2,1,3,5-8H3/b16-13+,17-14+,24-19+
InChIKeyXMRBPMMAICGJQT-SPIGWISPSA-N
XLogP6.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.50
LogP ≤ 56.93
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'}

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Frequently Asked Questions

What is the IUPAC name of (6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine?
The IUPAC name of (6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine (CID 166651414) is (6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine.
What is the SMILES notation for (6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine?
The canonical SMILES for (6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine is C=C/N=C(CC(CC)C(C)(C)F)/C(=C/CC)/C=C(\C=C)C(C)(C)F.
What is the InChIKey of (6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine?
The InChIKey is XMRBPMMAICGJQT-SPIGWISPSA-N. The full InChI is InChI=1S/C21H33F2N/c1-9-13-16(14-17(10-2)20(5,6)22)19(24-12-4)15-18(11-3)21(7,8)23/h10,12-14,18H,2,4,9,11,15H2,1,3,5-8H3/b16-13+,17-14+,24-19+.
What are the key properties of (6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine?
(6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine has a molecular weight of 337.50 g/mol, XLogP of 6.93, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine is sourced from PubChem (CID 166651414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).