3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane

C8F16 — CID 102446872

IUPAC3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane
SMILESFC(F)=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8F16/c9-2(10)1(3(11,5(13,14)15)6(16,17)18)4(12,7(19,20)21)8(22,23)24
InChIKeyWQYOAWRISXGJBK-UHFFFAOYSA-N
MW400.06 g/mol
LogP5.80
Rot. Bonds2

About 3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane

3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane (PubChem CID 102446872) has the molecular formula C8F16 and a molecular weight of 400.06 g/mol. Its IUPAC name is 3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane.

Molecular Properties

Compound Name3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane
PubChem CID102446872
Molecular FormulaC8F16
Molecular Weight400.06 g/mol
Exact Mass399.97
IUPAC Name3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane
SMILESFC(F)=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8F16/c9-2(10)1(3(11,5(13,14)15)6(16,17)18)4(12,7(19,20)21)8(22,23)24
InChIKeyWQYOAWRISXGJBK-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.06
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane with MolForge

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Related Compounds

1,1,1,4,5,5,5-Heptafluoro-3-(pentafluoroethyl)-2,4-bis(trifluoromethyl)pent-2-ene
CID 121670
(2Z)-1,1,1,2,4,4,5,5,5-Nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
CID 9908930
(2E)-1,1,1,2,4,4,5,5,5-Nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
CID 11732112
Perfluoro(3-isopropyl-4-methyl-2-pentene)
CID 12708035
Perfluoro(3-ethyl-4-methyl-2-pentene)
CID 73077840
Perfluoro-2-t-butyl-3-methylbut-1-ene
CID 14594410
Perfluoroisoheptene
CID 129809544
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-(Heptafluoroisopropyl)-2,4-bis(trifluoromethyl)heptafluoro-2-pentene
CID 12095277
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

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane?
The IUPAC name of 3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane (CID 102446872) is 3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane.
What is the SMILES notation for 3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane?
The canonical SMILES for 3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane is FC(F)=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane?
The InChIKey is WQYOAWRISXGJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F16/c9-2(10)1(3(11,5(13,14)15)6(16,17)18)4(12,7(19,20)21)8(22,23)24.
What are the key properties of 3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane?
3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane has a molecular weight of 400.06 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane is sourced from PubChem (CID 102446872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).