1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene

C9F16 — CID 91449769

IUPAC1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene
SMILESFC(F)=C(F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C9F16/c10-1(3(12)13)5(16,8(20,21)22)7(18,19)6(17,9(23,24)25)2(11)4(14)15
InChIKeyLQYNLZQDTHKSRF-UHFFFAOYSA-N
MW412.07 g/mol
LogP6.32
Rot. Bonds4

About 1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene

1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene (PubChem CID 91449769) has the molecular formula C9F16 and a molecular weight of 412.07 g/mol. Its IUPAC name is 1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene.

Molecular Properties

Compound Name1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene
PubChem CID91449769
Molecular FormulaC9F16
Molecular Weight412.07 g/mol
Exact Mass411.97
IUPAC Name1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene
SMILESFC(F)=C(F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C9F16/c10-1(3(12)13)5(16,8(20,21)22)7(18,19)6(17,9(23,24)25)2(11)4(14)15
InChIKeyLQYNLZQDTHKSRF-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.07
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene with MolForge

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Related Compounds

Perfluoroisoheptene
CID 129809544
1,1,2,3,3,4,5,6,6,6-Decafluoro-5-(trifluoromethyl)hex-1-ene
CID 23262931
Perfluoroisononene
CID 129816778
Perfluoro-2-methyl-3-ethylpentene
CID 145722221
4-(Difluoromethylidene)-1,1,1,2,2,3,5,5,6,6,6-undecafluoro-3-(trifluoromethyl)hexane
CID 12708030
3-(Difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
CID 12789861
1,1,3,4,4,5,5,5-Octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-1-ene
CID 14594409
1,1,3,5,5-Pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)penta-1,4-diene
CID 53845316
1,1,2,3,4,4,5,6,6,6-Decafluoro-3-(trifluoromethyl)hex-1-ene
CID 87076226
1,1,1,2,3,4,5,5,6,6,7,7,7-Tridecafluoro-4-(trifluoromethyl)hept-2-ene
CID 87388639
5-(Difluoromethyl)-1,1,2,3,3,4,4,5,6,6,6-undecafluorohex-1-ene
CID 87786192
1,1,3,4,4,5,6,6,6-Nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene
CID 87932326

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene?
The IUPAC name of 1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene (CID 91449769) is 1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene.
What is the SMILES notation for 1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene?
The canonical SMILES for 1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene is FC(F)=C(F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)=C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene?
The InChIKey is LQYNLZQDTHKSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F16/c10-1(3(12)13)5(16,8(20,21)22)7(18,19)6(17,9(23,24)25)2(11)4(14)15.
What are the key properties of 1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene?
1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene has a molecular weight of 412.07 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,4,5,6,7,7-decafluoro-3,5-bis(trifluoromethyl)hepta-1,6-diene is sourced from PubChem (CID 91449769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).