1,1,2,3,3,5,5-heptafluoro-4,4-bis(trifluoromethyl)hept-1-ene

C9H5F13 — CID 169099257

IUPAC1,1,2,3,3,5,5-heptafluoro-4,4-bis(trifluoromethyl)hept-1-ene
SMILESCCC(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C9H5F13/c1-2-5(13,14)7(8(17,18)19,9(20,21)22)6(15,16)3(10)4(11)12/h2H2,1H3
InChIKeyOSDPLSPVGJAPAN-UHFFFAOYSA-N
MW360.11 g/mol
LogP5.86
Rot. Bonds4

About 1,1,2,3,3,5,5-heptafluoro-4,4-bis(trifluoromethyl)hept-1-ene

1,1,2,3,3,5,5-heptafluoro-4,4-bis(trifluoromethyl)hept-1-ene (PubChem CID 169099257) has the molecular formula C9H5F13 and a molecular weight of 360.11 g/mol. Its IUPAC name is 1,1,2,3,3,5,5-heptafluoro-4,4-bis(trifluoromethyl)hept-1-ene.

Molecular Properties

Compound Name1,1,2,3,3,5,5-heptafluoro-4,4-bis(trifluoromethyl)hept-1-ene
PubChem CID169099257
Molecular FormulaC9H5F13
Molecular Weight360.11 g/mol
Exact Mass360.02
IUPAC Name1,1,2,3,3,5,5-heptafluoro-4,4-bis(trifluoromethyl)hept-1-ene
SMILESCCC(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C9H5F13/c1-2-5(13,14)7(8(17,18)19,9(20,21)22)6(15,16)3(10)4(11)12/h2H2,1H3
InChIKeyOSDPLSPVGJAPAN-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.11
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,5,5-heptafluoro-4,4-bis(trifluoromethyl)hept-1-ene?
The IUPAC name of 1,1,2,3,3,5,5-heptafluoro-4,4-bis(trifluoromethyl)hept-1-ene (CID 169099257) is 1,1,2,3,3,5,5-heptafluoro-4,4-bis(trifluoromethyl)hept-1-ene.
What is the SMILES notation for 1,1,2,3,3,5,5-heptafluoro-4,4-bis(trifluoromethyl)hept-1-ene?
The canonical SMILES for 1,1,2,3,3,5,5-heptafluoro-4,4-bis(trifluoromethyl)hept-1-ene is CCC(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3,5,5-heptafluoro-4,4-bis(trifluoromethyl)hept-1-ene?
The InChIKey is OSDPLSPVGJAPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F13/c1-2-5(13,14)7(8(17,18)19,9(20,21)22)6(15,16)3(10)4(11)12/h2H2,1H3.
What are the key properties of 1,1,2,3,3,5,5-heptafluoro-4,4-bis(trifluoromethyl)hept-1-ene?
1,1,2,3,3,5,5-heptafluoro-4,4-bis(trifluoromethyl)hept-1-ene has a molecular weight of 360.11 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,5,5-heptafluoro-4,4-bis(trifluoromethyl)hept-1-ene is sourced from PubChem (CID 169099257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).