4-ethenyl-1,7-difluorohept-2-ene

C9H14F2 — CID 57172031

IUPAC4-ethenyl-1,7-difluorohept-2-ene
SMILESC=CC(C=CCF)CCCF
InChIInChI=1S/C9H14F2/c1-2-9(5-3-7-10)6-4-8-11/h2-3,5,9H,1,4,6-8H2
InChIKeyKCEIZFQKPHKQAW-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.06
Rot. Bonds6

About 4-ethenyl-1,7-difluorohept-2-ene

4-ethenyl-1,7-difluorohept-2-ene (PubChem CID 57172031) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 4-ethenyl-1,7-difluorohept-2-ene.

Molecular Properties

Compound Name4-ethenyl-1,7-difluorohept-2-ene
PubChem CID57172031
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name4-ethenyl-1,7-difluorohept-2-ene
SMILESC=CC(C=CCF)CCCF
InChIInChI=1S/C9H14F2/c1-2-9(5-3-7-10)6-4-8-11/h2-3,5,9H,1,4,6-8H2
InChIKeyKCEIZFQKPHKQAW-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(Trifluoromethyl)cyclohexene
CID 15104043
(3R)-3-(trifluoromethyl)cyclohexene
CID 155430875
4,4-Difluoro-3-methylcyclopentene
CID 12757174
(Z)-3-fluoro-6-methylhept-2-ene
CID 13597793
(1Z)-1-fluoro-3,7,11-trimethyldodeca-1,6,10-triene
CID 91030681
6-Fluoro-3,7,11-trimethyldodeca-1,6,10-triene
CID 91438232
3-(2,2-Difluoroethenyl)cyclopentene
CID 134989112
(3R)-3-(trifluoromethyl)cycloheptene
CID 162401442
3,3-Difluoro-5-methylcyclopentene
CID 12757173
1-Fluoro-5-(1-fluoroethenyl)cyclohexene
CID 21678347
(E)-3-fluoro-6-methylhept-2-ene
CID 13597794
3-(Difluoromethyl)cyclohexene
CID 23729724

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,7-difluorohept-2-ene?
The IUPAC name of 4-ethenyl-1,7-difluorohept-2-ene (CID 57172031) is 4-ethenyl-1,7-difluorohept-2-ene.
What is the SMILES notation for 4-ethenyl-1,7-difluorohept-2-ene?
The canonical SMILES for 4-ethenyl-1,7-difluorohept-2-ene is C=CC(C=CCF)CCCF.
What is the InChIKey of 4-ethenyl-1,7-difluorohept-2-ene?
The InChIKey is KCEIZFQKPHKQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-2-9(5-3-7-10)6-4-8-11/h2-3,5,9H,1,4,6-8H2.
What are the key properties of 4-ethenyl-1,7-difluorohept-2-ene?
4-ethenyl-1,7-difluorohept-2-ene has a molecular weight of 160.21 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,7-difluorohept-2-ene is sourced from PubChem (CID 57172031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).