(E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene

C9H6F12 — CID 159475239

IUPAC(E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene
SMILESCC(F)(/C(F)=C(\F)C(F)(F)F)C(F)(F)F.CC(F)=C(F)F
InChIInChI=1S/C6H3F9.C3H3F3/c1-4(9,6(13,14)15)2(7)3(8)5(10,11)12;1-2(4)3(5)6/h1H3;1H3/b3-2+;
InChIKeyLWHIWIFPWPKMOG-SQQVDAMQSA-N
MW342.12 g/mol
LogP6.07
Rot. Bonds1

About (E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene

(E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene (PubChem CID 159475239) has the molecular formula C9H6F12 and a molecular weight of 342.12 g/mol. Its IUPAC name is (E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene
PubChem CID159475239
Molecular FormulaC9H6F12
Molecular Weight342.12 g/mol
Exact Mass342.03
IUPAC Name(E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene
SMILESCC(F)(/C(F)=C(\F)C(F)(F)F)C(F)(F)F.CC(F)=C(F)F
InChIInChI=1S/C6H3F9.C3H3F3/c1-4(9,6(13,14)15)2(7)3(8)5(10,11)12;1-2(4)3(5)6/h1H3;1H3/b3-2+;
InChIKeyLWHIWIFPWPKMOG-SQQVDAMQSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.12
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene?
The IUPAC name of (E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene (CID 159475239) is (E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene.
What is the SMILES notation for (E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene?
The canonical SMILES for (E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene is CC(F)(/C(F)=C(\F)C(F)(F)F)C(F)(F)F.CC(F)=C(F)F.
What is the InChIKey of (E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene?
The InChIKey is LWHIWIFPWPKMOG-SQQVDAMQSA-N. The full InChI is InChI=1S/C6H3F9.C3H3F3/c1-4(9,6(13,14)15)2(7)3(8)5(10,11)12;1-2(4)3(5)6/h1H3;1H3/b3-2+;.
What are the key properties of (E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene?
(E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene has a molecular weight of 342.12 g/mol, XLogP of 6.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene is sourced from PubChem (CID 159475239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).