1,1,2,3,3,4,5,6,6-nonafluoro-5-(trifluoromethyl)hept-1-ene

C8H4F12 — CID 143759174

IUPAC1,1,2,3,3,4,5,6,6-nonafluoro-5-(trifluoromethyl)hept-1-ene
SMILESCC(F)(F)C(F)(C(F)C(F)(F)C(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C8H4F12/c1-5(13,14)7(17,8(18,19)20)4(12)6(15,16)2(9)3(10)11/h4H,1H3
InChIKeyGCFRIOMWNAZFHQ-UHFFFAOYSA-N
MW328.10 g/mol
LogP4.96
Rot. Bonds4

About 1,1,2,3,3,4,5,6,6-nonafluoro-5-(trifluoromethyl)hept-1-ene

1,1,2,3,3,4,5,6,6-nonafluoro-5-(trifluoromethyl)hept-1-ene (PubChem CID 143759174) has the molecular formula C8H4F12 and a molecular weight of 328.10 g/mol. Its IUPAC name is 1,1,2,3,3,4,5,6,6-nonafluoro-5-(trifluoromethyl)hept-1-ene.

Molecular Properties

Compound Name1,1,2,3,3,4,5,6,6-nonafluoro-5-(trifluoromethyl)hept-1-ene
PubChem CID143759174
Molecular FormulaC8H4F12
Molecular Weight328.10 g/mol
Exact Mass328.01
IUPAC Name1,1,2,3,3,4,5,6,6-nonafluoro-5-(trifluoromethyl)hept-1-ene
SMILESCC(F)(F)C(F)(C(F)C(F)(F)C(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C8H4F12/c1-5(13,14)7(17,8(18,19)20)4(12)6(15,16)2(9)3(10)11/h4H,1H3
InChIKeyGCFRIOMWNAZFHQ-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.10
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,5,6,6-nonafluoro-5-(trifluoromethyl)hept-1-ene?
The IUPAC name of 1,1,2,3,3,4,5,6,6-nonafluoro-5-(trifluoromethyl)hept-1-ene (CID 143759174) is 1,1,2,3,3,4,5,6,6-nonafluoro-5-(trifluoromethyl)hept-1-ene.
What is the SMILES notation for 1,1,2,3,3,4,5,6,6-nonafluoro-5-(trifluoromethyl)hept-1-ene?
The canonical SMILES for 1,1,2,3,3,4,5,6,6-nonafluoro-5-(trifluoromethyl)hept-1-ene is CC(F)(F)C(F)(C(F)C(F)(F)C(F)=C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,4,5,6,6-nonafluoro-5-(trifluoromethyl)hept-1-ene?
The InChIKey is GCFRIOMWNAZFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F12/c1-5(13,14)7(17,8(18,19)20)4(12)6(15,16)2(9)3(10)11/h4H,1H3.
What are the key properties of 1,1,2,3,3,4,5,6,6-nonafluoro-5-(trifluoromethyl)hept-1-ene?
1,1,2,3,3,4,5,6,6-nonafluoro-5-(trifluoromethyl)hept-1-ene has a molecular weight of 328.10 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,5,6,6-nonafluoro-5-(trifluoromethyl)hept-1-ene is sourced from PubChem (CID 143759174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).