1,1,2,5,6,6,6-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene

C10H3F17 — CID 58915578

IUPAC1,1,2,5,6,6,6-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene
SMILESFC(F)=C(F)C(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H3F17/c11-3(4(12)13)2(6(15,9(22,23)24)10(25,26)27)1-5(14,7(16,17)18)8(19,20)21/h2H,1H2
InChIKeyPQVCCBWUKBDYHQ-UHFFFAOYSA-N
MW446.10 g/mol
LogP6.74
Rot. Bonds4

About 1,1,2,5,6,6,6-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene

1,1,2,5,6,6,6-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene (PubChem CID 58915578) has the molecular formula C10H3F17 and a molecular weight of 446.10 g/mol. Its IUPAC name is 1,1,2,5,6,6,6-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name1,1,2,5,6,6,6-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene
PubChem CID58915578
Molecular FormulaC10H3F17
Molecular Weight446.10 g/mol
Exact Mass446.00
IUPAC Name1,1,2,5,6,6,6-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene
SMILESFC(F)=C(F)C(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H3F17/c11-3(4(12)13)2(6(15,9(22,23)24)10(25,26)27)1-5(14,7(16,17)18)8(19,20)21/h2H,1H2
InChIKeyPQVCCBWUKBDYHQ-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.10
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,5,6,6,6-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene?
The IUPAC name of 1,1,2,5,6,6,6-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene (CID 58915578) is 1,1,2,5,6,6,6-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 1,1,2,5,6,6,6-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene?
The canonical SMILES for 1,1,2,5,6,6,6-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene is FC(F)=C(F)C(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,5,6,6,6-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene?
The InChIKey is PQVCCBWUKBDYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F17/c11-3(4(12)13)2(6(15,9(22,23)24)10(25,26)27)1-5(14,7(16,17)18)8(19,20)21/h2H,1H2.
What are the key properties of 1,1,2,5,6,6,6-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene?
1,1,2,5,6,6,6-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene has a molecular weight of 446.10 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,5,6,6,6-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 58915578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).