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

C9F18 — CID 87932326

IUPAC1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene
SMILESFC(F)=C(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F18/c10-2(11)1(4(13,14)15)3(12,7(19,20)21)6(17,18)5(16,8(22,23)24)9(25,26)27
InChIKeyZMLNYMZMZDZWDD-UHFFFAOYSA-N
MW450.06 g/mol
LogP6.44
Rot. Bonds3

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

1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene (PubChem CID 87932326) has the molecular formula C9F18 and a molecular weight of 450.06 g/mol. Its IUPAC name is 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene
PubChem CID87932326
Molecular FormulaC9F18
Molecular Weight450.06 g/mol
Exact Mass449.97
IUPAC Name1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene
SMILESFC(F)=C(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F18/c10-2(11)1(4(13,14)15)3(12,7(19,20)21)6(17,18)5(16,8(22,23)24)9(25,26)27
InChIKeyZMLNYMZMZDZWDD-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.06
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene with MolForge

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Related Compounds

ethene;1,1,3,3,3-pentafluoro-2-(trifluoromethyl)prop-1-ene
CID 88622012
2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol
CID 174793039
2-[difluoro(methoxy)methyl]-1,1,3,3,3-pentafluoroprop-1-ene
CID 15829255
2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene
CID 564811
but-1-ene;4-(difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane
CID 175349152
1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene
CID 71362192
1,1,3,3-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene
CID 23264394
CID 132604725
CID 132604725
[(E)-1,1,1,2,2,3,5,6,7,7,7-undecafluoro-4,6-bis(trifluoromethyl)hept-4-en-3-yl]oxybenzene
CID 156565364
2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride
CID 90092935
4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine
CID 118673874
3,4,4,4-tetrafluoro-2,3-bis(trifluoromethyl)but-1-ene
CID 134361168

Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene?
The IUPAC name of 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene (CID 87932326) is 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene?
The canonical SMILES for 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene is FC(F)=C(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene?
The InChIKey is ZMLNYMZMZDZWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F18/c10-2(11)1(4(13,14)15)3(12,7(19,20)21)6(17,18)5(16,8(22,23)24)9(25,26)27.
What are the key properties of 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene?
1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene has a molecular weight of 450.06 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 87932326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).