(Z)-9,9-difluoro-2-methyloctadec-7-ene

C19H36F2 — CID 10266938

IUPAC(Z)-9,9-difluoro-2-methyloctadec-7-ene
SMILESCCCCCCCCCC(F)(F)/C=C\CCCCC(C)C
InChIInChI=1S/C19H36F2/c1-4-5-6-7-8-10-13-16-19(20,21)17-14-11-9-12-15-18(2)3/h14,17-18H,4-13,15-16H2,1-3H3/b17-14-
InChIKeyVBESZYZGADILNN-VKAVYKQESA-N
MW302.49 g/mol
LogP7.53
Rot. Bonds14

About (Z)-9,9-difluoro-2-methyloctadec-7-ene

(Z)-9,9-difluoro-2-methyloctadec-7-ene (PubChem CID 10266938) has the molecular formula C19H36F2 and a molecular weight of 302.49 g/mol. Its IUPAC name is (Z)-9,9-difluoro-2-methyloctadec-7-ene.

Molecular Properties

Compound Name(Z)-9,9-difluoro-2-methyloctadec-7-ene
PubChem CID10266938
Molecular FormulaC19H36F2
Molecular Weight302.49 g/mol
Exact Mass302.28
IUPAC Name(Z)-9,9-difluoro-2-methyloctadec-7-ene
SMILESCCCCCCCCCC(F)(F)/C=C\CCCCC(C)C
InChIInChI=1S/C19H36F2/c1-4-5-6-7-8-10-13-16-19(20,21)17-14-11-9-12-15-18(2)3/h14,17-18H,4-13,15-16H2,1-3H3/b17-14-
InChIKeyVBESZYZGADILNN-VKAVYKQESA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6,10,15,19,23-Hexamethyltetracosene
CID 6437646
cis-2-Methyl-7-octadecene
CID 5363114
2-Methyl-Z-7-hexadecene
CID 5363319
2-Methyl-(Z)-7-octadecene
CID 6242671
2-Methyl-7-octadecene
CID 141995
Tetracosene, 2,6,10,15,19,23-hexamethyl-
CID 111339
(21-Methyl-8Z-pentatriacontene
CID 56936079
(7Z,9E)-2-methyl-7,9-octadecadiene
CID 56936099
2-Methylhexadec-7-ene
CID 537212
2,6,14-trimethyl-10-methylene-9-(3-methylpent-4-enyl)-pentadec-6E-ene
CID 5471130
(E)-8-(trifluoromethyl)tetradec-6-ene
CID 101032788
(E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene
CID 101024689

Frequently Asked Questions

What is the IUPAC name of (Z)-9,9-difluoro-2-methyloctadec-7-ene?
The IUPAC name of (Z)-9,9-difluoro-2-methyloctadec-7-ene (CID 10266938) is (Z)-9,9-difluoro-2-methyloctadec-7-ene.
What is the SMILES notation for (Z)-9,9-difluoro-2-methyloctadec-7-ene?
The canonical SMILES for (Z)-9,9-difluoro-2-methyloctadec-7-ene is CCCCCCCCCC(F)(F)/C=C\CCCCC(C)C.
What is the InChIKey of (Z)-9,9-difluoro-2-methyloctadec-7-ene?
The InChIKey is VBESZYZGADILNN-VKAVYKQESA-N. The full InChI is InChI=1S/C19H36F2/c1-4-5-6-7-8-10-13-16-19(20,21)17-14-11-9-12-15-18(2)3/h14,17-18H,4-13,15-16H2,1-3H3/b17-14-.
What are the key properties of (Z)-9,9-difluoro-2-methyloctadec-7-ene?
(Z)-9,9-difluoro-2-methyloctadec-7-ene has a molecular weight of 302.49 g/mol, XLogP of 7.53, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9,9-difluoro-2-methyloctadec-7-ene is sourced from PubChem (CID 10266938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).