3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane

C9F18 — CID 14594410

IUPAC3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane
SMILESFC(F)=C(C(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F18/c10-2(11)1(4(12,8(22,23)24)9(25,26)27)3(5(13,14)15,6(16,17)18)7(19,20)21
InChIKeyLLWCVGACJJBODZ-UHFFFAOYSA-N
MW450.06 g/mol
LogP6.64
Rot. Bonds2

About 3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane

3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane (PubChem CID 14594410) has the molecular formula C9F18 and a molecular weight of 450.06 g/mol. Its IUPAC name is 3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane.

Molecular Properties

Compound Name3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane
PubChem CID14594410
Molecular FormulaC9F18
Molecular Weight450.06 g/mol
Exact Mass449.97
IUPAC Name3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane
SMILESFC(F)=C(C(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F18/c10-2(11)1(4(12,8(22,23)24)9(25,26)27)3(5(13,14)15,6(16,17)18)7(19,20)21
InChIKeyLLWCVGACJJBODZ-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.06
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane with MolForge

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Related Compounds

3-(Difluoromethylidene)-1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
CID 12789861
(E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,4-bis(trifluoromethyl)pent-2-ene
CID 22642014
1,1,1,5,5,5-Hexafluoro-3-[1-(trifluoromethyl)-1,2,2,2-tetrafluoroethyl]-2,4,4-tris(trifluoromethyl)-2-pentene
CID 22642015
Perfluoro 4,4-dimethyl-3-isopropyl-2-pentene
CID 73990785
4-(Difluoromethylidene)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,3-bis(trifluoromethyl)hexane
CID 175228320
1,1,4,5,5,5-Hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)penta-1,2-diene
CID 53833338
3-(Difluoromethylidene)-1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentane
CID 102446872

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane?
The IUPAC name of 3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane (CID 14594410) is 3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane.
What is the SMILES notation for 3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane?
The canonical SMILES for 3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane is FC(F)=C(C(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane?
The InChIKey is LLWCVGACJJBODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F18/c10-2(11)1(4(12,8(22,23)24)9(25,26)27)3(5(13,14)15,6(16,17)18)7(19,20)21.
What are the key properties of 3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane?
3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane has a molecular weight of 450.06 g/mol, XLogP of 6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-1,1,1,2,5,5,5-heptafluoro-2,4,4-tris(trifluoromethyl)pentane is sourced from PubChem (CID 14594410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).