(4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine

C18H32FN — CID 144773838

IUPAC(4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine
SMILESC=CC/C=C\C(CCC(C)(C)F)=C(\C)C=C.CN(C)C
InChIInChI=1S/C15H23F.C3H9N/c1-6-8-9-10-14(13(3)7-2)11-12-15(4,5)16;1-4(2)3/h6-7,9-10H,1-2,8,11-12H2,3-5H3;1-3H3/b10-9-,14-13+;
InChIKeyGHKSPPXXDGDZTP-YRAGAKFNSA-N
MW281.46 g/mol
LogP5.33
Rot. Bonds7

About (4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine

(4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine (PubChem CID 144773838) has the molecular formula C18H32FN and a molecular weight of 281.46 g/mol. Its IUPAC name is (4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine.

Molecular Properties

Compound Name(4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine
PubChem CID144773838
Molecular FormulaC18H32FN
Molecular Weight281.46 g/mol
Exact Mass281.25
IUPAC Name(4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine
SMILESC=CC/C=C\C(CCC(C)(C)F)=C(\C)C=C.CN(C)C
InChIInChI=1S/C15H23F.C3H9N/c1-6-8-9-10-14(13(3)7-2)11-12-15(4,5)16;1-4(2)3/h6-7,9-10H,1-2,8,11-12H2,3-5H3;1-3H3/b10-9-,14-13+;
InChIKeyGHKSPPXXDGDZTP-YRAGAKFNSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.46
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine with MolForge

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Related Compounds

ethane;(3E,5Z)-4-ethenyl-3-methylnona-1,3,5,8-tetraene
CID 143986521
(3Z,5E)-9-fluoro-3,6,9-trimethyldeca-1,3,5-triene
CID 167003915
6,7-difluoroocta-1,4,6-triene
CID 91531817
7-fluoro-7-methyloct-1-ene
CID 87159398
deca-3,6,9-trien-2-one
CID 139932510
3,4-dimethylpenta-1,3-diene
CID 6713443
(4Z)-octa-1,4,7-trien-3-one
CID 134866608
(4E)-10-methyl-6-methylideneundeca-1,4,9-triene
CID 162518511
hexa-1,4-diene
CID 163631115
acetic acid;hexa-1,4-diene
CID 174398643
N-prop-2-enyl-N-(trifluoromethyl)acetamide;silane
CID 174452092
2-methylbuta-1,3-diene;penta-1,4-diene
CID 22568286

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine?
The IUPAC name of (4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine (CID 144773838) is (4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine.
What is the SMILES notation for (4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine?
The canonical SMILES for (4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine is C=CC/C=C\C(CCC(C)(C)F)=C(\C)C=C.CN(C)C.
What is the InChIKey of (4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine?
The InChIKey is GHKSPPXXDGDZTP-YRAGAKFNSA-N. The full InChI is InChI=1S/C15H23F.C3H9N/c1-6-8-9-10-14(13(3)7-2)11-12-15(4,5)16;1-4(2)3/h6-7,9-10H,1-2,8,11-12H2,3-5H3;1-3H3/b10-9-,14-13+;.
What are the key properties of (4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine?
(4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine has a molecular weight of 281.46 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-6-but-3-en-2-ylidene-9-fluoro-9-methyldeca-1,4-diene;N,N-dimethylmethanamine is sourced from PubChem (CID 144773838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).