(2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine

C15H19F2N — CID 145383058

IUPAC(2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine
SMILES[H]/N=C1C(\C)=C/C=C\C(C)C(C)/C(F)=C\C(F)=C\1C
InChIInChI=1S/C15H19F2N/c1-9-6-5-7-10(2)15(18)12(4)14(17)8-13(16)11(9)3/h5-9,11,18H,1-4H3/b6-5-,10-7-,13-8+,14-12-,18-15+
InChIKeyKMQRDQSLYNGRBD-QFUABMKXSA-N
MW251.32 g/mol
LogP4.89
Rot. Bonds

About (2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine

(2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine (PubChem CID 145383058) has the molecular formula C15H19F2N and a molecular weight of 251.32 g/mol. Its IUPAC name is (2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine.

Molecular Properties

Compound Name(2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine
PubChem CID145383058
Molecular FormulaC15H19F2N
Molecular Weight251.32 g/mol
Exact Mass251.15
IUPAC Name(2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine
SMILES[H]/N=C1C(\C)=C/C=C\C(C)C(C)/C(F)=C\C(F)=C\1C
InChIInChI=1S/C15H19F2N/c1-9-6-5-7-10(2)15(18)12(4)14(17)8-13(16)11(9)3/h5-9,11,18H,1-4H3/b6-5-,10-7-,13-8+,14-12-,18-15+
InChIKeyKMQRDQSLYNGRBD-QFUABMKXSA-N
XLogP4.89
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine with MolForge

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Related Compounds

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1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanimine
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(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine
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(Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane
CID 156717512
(Z,3E)-3-but-3-enylidene-1,1-difluorooct-4-en-2-imine
CID 166811924
(3E,5Z,7E)-1,1-difluoro-3-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-2-imine
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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine?
The IUPAC name of (2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine (CID 145383058) is (2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine.
What is the SMILES notation for (2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine?
The canonical SMILES for (2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine is [H]/N=C1C(\C)=C/C=C\C(C)C(C)/C(F)=C\C(F)=C\1C.
What is the InChIKey of (2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine?
The InChIKey is KMQRDQSLYNGRBD-QFUABMKXSA-N. The full InChI is InChI=1S/C15H19F2N/c1-9-6-5-7-10(2)15(18)12(4)14(17)8-13(16)11(9)3/h5-9,11,18H,1-4H3/b6-5-,10-7-,13-8+,14-12-,18-15+.
What are the key properties of (2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine?
(2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine has a molecular weight of 251.32 g/mol, XLogP of 4.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,8Z,10Z)-3,5-difluoro-2,6,7,11-tetramethylcycloundeca-2,4,8,10-tetraen-1-imine is sourced from PubChem (CID 145383058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).