2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene

C7H2F12 — CID 162345575

IUPAC2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene
SMILESC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H2F12/c1-2(8)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)19/h1H2
InChIKeyVWKYSLFPQDORIV-UHFFFAOYSA-N
MW314.07 g/mol
LogP4.57
Rot. Bonds4

About 2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene

2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene (PubChem CID 162345575) has the molecular formula C7H2F12 and a molecular weight of 314.07 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene.

Molecular Properties

Compound Name2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene
PubChem CID162345575
Molecular FormulaC7H2F12
Molecular Weight314.07 g/mol
Exact Mass314.00
IUPAC Name2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene
SMILESC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H2F12/c1-2(8)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)19/h1H2
InChIKeyVWKYSLFPQDORIV-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.07
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene?
The IUPAC name of 2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene (CID 162345575) is 2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene.
What is the SMILES notation for 2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene?
The canonical SMILES for 2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene is C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene?
The InChIKey is VWKYSLFPQDORIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F12/c1-2(8)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)19/h1H2.
What are the key properties of 2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene?
2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene has a molecular weight of 314.07 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene is sourced from PubChem (CID 162345575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).