7,7-difluorohept-3-ene

C7H12F2 — CID 54444112

IUPAC7,7-difluorohept-3-ene
SMILESCCC=CCCC(F)F
InChIInChI=1S/C7H12F2/c1-2-3-4-5-6-7(8)9/h3-4,7H,2,5-6H2,1H3
InChIKeyCRIHGDFJRGTLSC-UHFFFAOYSA-N
MW134.17 g/mol
LogP3.00
Rot. Bonds4

About 7,7-difluorohept-3-ene

7,7-difluorohept-3-ene (PubChem CID 54444112) has the molecular formula C7H12F2 and a molecular weight of 134.17 g/mol. Its IUPAC name is 7,7-difluorohept-3-ene.

Molecular Properties

Compound Name7,7-difluorohept-3-ene
PubChem CID54444112
Molecular FormulaC7H12F2
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name7,7-difluorohept-3-ene
SMILESCCC=CCCC(F)F
InChIInChI=1S/C7H12F2/c1-2-3-4-5-6-7(8)9/h3-4,7H,2,5-6H2,1H3
InChIKeyCRIHGDFJRGTLSC-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.17
LogP ≤ 53.00
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

8,8,8-trifluoro-7-(trifluoromethyl)oct-3-ene
CID 123611335
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(E)-7,8-dimethyldec-3-ene
CID 164805816
(Z,2R)-2-fluorodec-7-enal
CID 134894209
(3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene
CID 177270175
2-ethyloct-5-en-1-ol
CID 54387692
(3E,16E,23E,36E)-20-propan-2-ylnonatriaconta-3,16,23,36-tetraene
CID 177270023
3-methylnon-6-en-1-amine
CID 54538650
8-methylnon-3-ene
CID 54424784
(E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine
CID 88909552
(3E,16E)-nonadeca-3,16-diene
CID 157471321

Frequently Asked Questions

What is the IUPAC name of 7,7-difluorohept-3-ene?
The IUPAC name of 7,7-difluorohept-3-ene (CID 54444112) is 7,7-difluorohept-3-ene.
What is the SMILES notation for 7,7-difluorohept-3-ene?
The canonical SMILES for 7,7-difluorohept-3-ene is CCC=CCCC(F)F.
What is the InChIKey of 7,7-difluorohept-3-ene?
The InChIKey is CRIHGDFJRGTLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2/c1-2-3-4-5-6-7(8)9/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 7,7-difluorohept-3-ene?
7,7-difluorohept-3-ene has a molecular weight of 134.17 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluorohept-3-ene is sourced from PubChem (CID 54444112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).