(E)-7,7-difluorohept-2-ene

C7H12F2 — CID 58814949

IUPAC(E)-7,7-difluorohept-2-ene
SMILESC/C=C/CCCC(F)F
InChIInChI=1S/C7H12F2/c1-2-3-4-5-6-7(8)9/h2-3,7H,4-6H2,1H3/b3-2+
InChIKeyFRLLHPRDAFHZGW-NSCUHMNNSA-N
MW134.17 g/mol
LogP3.00
Rot. Bonds4

About (E)-7,7-difluorohept-2-ene

(E)-7,7-difluorohept-2-ene (PubChem CID 58814949) has the molecular formula C7H12F2 and a molecular weight of 134.17 g/mol. Its IUPAC name is (E)-7,7-difluorohept-2-ene.

Molecular Properties

Compound Name(E)-7,7-difluorohept-2-ene
PubChem CID58814949
Molecular FormulaC7H12F2
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name(E)-7,7-difluorohept-2-ene
SMILESC/C=C/CCCC(F)F
InChIInChI=1S/C7H12F2/c1-2-3-4-5-6-7(8)9/h2-3,7H,4-6H2,1H3/b3-2+
InChIKeyFRLLHPRDAFHZGW-NSCUHMNNSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-9-fluorodec-2-ene
CID 22172002
7,8-dimethyldec-2-ene
CID 123474152
8,8-difluorooct-3-en-1-amine
CID 90786010
dec-8-en-4-ol
CID 56606618
(E)-dec-8-en-4-ol
CID 19937281
(Z)-oct-2-ene
CID 5356796
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823
8-methyltridec-2-ene
CID 154258032
(Z,3R)-3-methylnon-7-en-1-amine
CID 174038917
(2E,7E)-dodeca-2,7-diene
CID 173295735

Frequently Asked Questions

What is the IUPAC name of (E)-7,7-difluorohept-2-ene?
The IUPAC name of (E)-7,7-difluorohept-2-ene (CID 58814949) is (E)-7,7-difluorohept-2-ene.
What is the SMILES notation for (E)-7,7-difluorohept-2-ene?
The canonical SMILES for (E)-7,7-difluorohept-2-ene is C/C=C/CCCC(F)F.
What is the InChIKey of (E)-7,7-difluorohept-2-ene?
The InChIKey is FRLLHPRDAFHZGW-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H12F2/c1-2-3-4-5-6-7(8)9/h2-3,7H,4-6H2,1H3/b3-2+.
What are the key properties of (E)-7,7-difluorohept-2-ene?
(E)-7,7-difluorohept-2-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 (E)-7,7-difluorohept-2-ene is sourced from PubChem (CID 58814949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).