(E)-9,10-difluorooctadec-9-ene

C18H34F2 — CID 101427945

IUPAC(E)-9,10-difluorooctadec-9-ene
SMILESCCCCCCCC/C(F)=C(\F)CCCCCCCC
InChIInChI=1S/C18H34F2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3/b18-17+
InChIKeyLHOMDBASDASSIF-ISLYRVAYSA-N
MW288.47 g/mol
LogP7.64
Rot. Bonds14

About (E)-9,10-difluorooctadec-9-ene

(E)-9,10-difluorooctadec-9-ene (PubChem CID 101427945) has the molecular formula C18H34F2 and a molecular weight of 288.47 g/mol. Its IUPAC name is (E)-9,10-difluorooctadec-9-ene.

Molecular Properties

Compound Name(E)-9,10-difluorooctadec-9-ene
PubChem CID101427945
Molecular FormulaC18H34F2
Molecular Weight288.47 g/mol
Exact Mass288.26
IUPAC Name(E)-9,10-difluorooctadec-9-ene
SMILESCCCCCCCC/C(F)=C(\F)CCCCCCCC
InChIInChI=1S/C18H34F2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3/b18-17+
InChIKeyLHOMDBASDASSIF-ISLYRVAYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-8-fluoro-7-iodooctadec-7-ene
CID 102385846
diethyl-[(E)-4-fluorotetradec-3-en-3-yl]borane
CID 102382204
tributyl-[(E)-1,1,1-trifluorotridec-2-en-2-yl]stannane
CID 134848075
[(E)-8-fluorooctadec-7-en-7-yl]-dihexylborane
CID 134879632
diethyl-[(Z)-4-fluorotetradec-3-en-3-yl]borane
CID 134879718
(E)-8-fluorooctadec-7-ene
CID 102385845
(Z)-8-fluorooctadec-7-ene
CID 102385847
(E)-7,8-difluorotetradec-7-ene
CID 88101513
(Z)-2,3-difluoronon-2-ene
CID 130243141
8-Fluorotetracos-7-ene
CID 149973729
3,4-Diethyl-5,5,6-trifluorotetradec-3-ene
CID 150247345
2,3-Difluorodec-2-ene
CID 161384742

Frequently Asked Questions

What is the IUPAC name of (E)-9,10-difluorooctadec-9-ene?
The IUPAC name of (E)-9,10-difluorooctadec-9-ene (CID 101427945) is (E)-9,10-difluorooctadec-9-ene.
What is the SMILES notation for (E)-9,10-difluorooctadec-9-ene?
The canonical SMILES for (E)-9,10-difluorooctadec-9-ene is CCCCCCCC/C(F)=C(\F)CCCCCCCC.
What is the InChIKey of (E)-9,10-difluorooctadec-9-ene?
The InChIKey is LHOMDBASDASSIF-ISLYRVAYSA-N. The full InChI is InChI=1S/C18H34F2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3/b18-17+.
What are the key properties of (E)-9,10-difluorooctadec-9-ene?
(E)-9,10-difluorooctadec-9-ene has a molecular weight of 288.47 g/mol, XLogP of 7.64, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9,10-difluorooctadec-9-ene is sourced from PubChem (CID 101427945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).