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

C7H2F12 — CID 76545605

IUPAC1,1,1,2,2,5,5,6,6,7,7,7-dodecafluorohept-3-ene
SMILESFC(F)(F)C(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H2F12/c8-3(9,5(12,13)7(17,18)19)1-2-4(10,11)6(14,15)16/h1-2H
InChIKeyYWSYXYXSEWRSMA-UHFFFAOYSA-N
MW314.07 g/mol
LogP4.57
Rot. Bonds3

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

1,1,1,2,2,5,5,6,6,7,7,7-dodecafluorohept-3-ene (PubChem CID 76545605) has the molecular formula C7H2F12 and a molecular weight of 314.07 g/mol. Its IUPAC name is 1,1,1,2,2,5,5,6,6,7,7,7-dodecafluorohept-3-ene.

Molecular Properties

Compound Name1,1,1,2,2,5,5,6,6,7,7,7-dodecafluorohept-3-ene
PubChem CID76545605
Molecular FormulaC7H2F12
Molecular Weight314.07 g/mol
Exact Mass314.00
IUPAC Name1,1,1,2,2,5,5,6,6,7,7,7-dodecafluorohept-3-ene
SMILESFC(F)(F)C(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H2F12/c8-3(9,5(12,13)7(17,18)19)1-2-4(10,11)6(14,15)16/h1-2H
InChIKeyYWSYXYXSEWRSMA-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-1,1,1,2,2,5,5,6,6,6-Decafluoro-3-hexene (HFO-153-10mczz-E)
CID 19780784
3,3,4,4,5,5,5-Heptafluoropent-1-ene
CID 67727
1H,2H-Hexafluorocyclopentene
CID 11309822
1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-Octadecafluoro-5-decene
CID 128620
1,3,3,4,4,5,5-Heptafluorocyclopentene
CID 11769384
4-Octene, 1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluoro-
CID 12751148
(2E)-1,1,1,4,4,5,5,6,6,6-Decafluorohex-2-ene
CID 12951081
(5E)-5H,6H-Octadecafluorodec-5-ene
CID 5702804
1-Propenylperfluoropropane
CID 2774912
(2E)-4,4,5,5,6,6,6-Heptafluorohex-2-ene
CID 5708518
1,1,1,2,2,3,3,6,6,7,7,8,8,8-Tetradecafluorooct-4-ene
CID 54112968
1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,10,10,10-Octadecafluorodec-4-ene
CID 73985452

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,5,5,6,6,7,7,7-dodecafluorohept-3-ene?
The IUPAC name of 1,1,1,2,2,5,5,6,6,7,7,7-dodecafluorohept-3-ene (CID 76545605) is 1,1,1,2,2,5,5,6,6,7,7,7-dodecafluorohept-3-ene.
What is the SMILES notation for 1,1,1,2,2,5,5,6,6,7,7,7-dodecafluorohept-3-ene?
The canonical SMILES for 1,1,1,2,2,5,5,6,6,7,7,7-dodecafluorohept-3-ene is FC(F)(F)C(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,5,5,6,6,7,7,7-dodecafluorohept-3-ene?
The InChIKey is YWSYXYXSEWRSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F12/c8-3(9,5(12,13)7(17,18)19)1-2-4(10,11)6(14,15)16/h1-2H.
What are the key properties of 1,1,1,2,2,5,5,6,6,7,7,7-dodecafluorohept-3-ene?
1,1,1,2,2,5,5,6,6,7,7,7-dodecafluorohept-3-ene has a molecular weight of 314.07 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,5,5,6,6,7,7,7-dodecafluorohept-3-ene is sourced from PubChem (CID 76545605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).