1,1,1,2,2,3,4-heptafluorohex-3-ene

C6H5F7 — CID 76545614

IUPAC1,1,1,2,2,3,4-heptafluorohex-3-ene
SMILESCCC(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F7/c1-2-3(7)4(8)5(9,10)6(11,12)13/h2H2,1H3
InChIKeyQAQXDIFHMWHZAL-UHFFFAOYSA-N
MW210.09 g/mol
LogP3.74
Rot. Bonds2

About 1,1,1,2,2,3,4-heptafluorohex-3-ene

1,1,1,2,2,3,4-heptafluorohex-3-ene (PubChem CID 76545614) has the molecular formula C6H5F7 and a molecular weight of 210.09 g/mol. Its IUPAC name is 1,1,1,2,2,3,4-heptafluorohex-3-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,4-heptafluorohex-3-ene
PubChem CID76545614
Molecular FormulaC6H5F7
Molecular Weight210.09 g/mol
Exact Mass210.03
IUPAC Name1,1,1,2,2,3,4-heptafluorohex-3-ene
SMILESCCC(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F7/c1-2-3(7)4(8)5(9,10)6(11,12)13/h2H2,1H3
InChIKeyQAQXDIFHMWHZAL-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,1,1,2,2,3,4-heptafluorohex-3-ene
CID 57455083
(Z)-3,4-difluorohex-3-ene
CID 143535367
1,1-bis(ethylsulfanyl)-2,3,3,4,4,4-hexafluorobut-1-ene
CID 10379130
(Z)-1,1,1,3-tetrafluoro-2-methylpent-2-ene
CID 130289840
1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene
CID 173307973
(Z)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)non-3-ene
CID 166521314
1,1,2,3,4,4,5,5,5-nonafluoro-1-(1,1,2,3,4,4,5,5,5-nonafluoropent-2-enoxy)pent-2-ene
CID 141460580
propanoyl 2,2,3,3,3-pentafluoropropanoate
CID 22105194
1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene
CID 87084484
(Z)-3,4,4,5,5,5-hexafluoropent-2-ene
CID 57455081
(E)-3-fluoro-4-iodohex-3-ene
CID 12545933
1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one
CID 91153512

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,4-heptafluorohex-3-ene?
The IUPAC name of 1,1,1,2,2,3,4-heptafluorohex-3-ene (CID 76545614) is 1,1,1,2,2,3,4-heptafluorohex-3-ene.
What is the SMILES notation for 1,1,1,2,2,3,4-heptafluorohex-3-ene?
The canonical SMILES for 1,1,1,2,2,3,4-heptafluorohex-3-ene is CCC(F)=C(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,4-heptafluorohex-3-ene?
The InChIKey is QAQXDIFHMWHZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7/c1-2-3(7)4(8)5(9,10)6(11,12)13/h2H2,1H3.
What are the key properties of 1,1,1,2,2,3,4-heptafluorohex-3-ene?
1,1,1,2,2,3,4-heptafluorohex-3-ene has a molecular weight of 210.09 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,4-heptafluorohex-3-ene is sourced from PubChem (CID 76545614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).