1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene

C14H3F25O — CID 15210909

IUPAC1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H3F25O/c15-4(16)8(21,22)10(26,27)5(17,18)1-40-3(9(23,24)25)2(6(19,11(28,29)30)12(31,32)33)7(20,13(34,35)36)14(37,38)39/h4H,1H2
InChIKeyNOHTYTPTCONNLH-UHFFFAOYSA-N
MW662.13 g/mol
LogP8.66
Rot. Bonds8

About 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene

1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene (PubChem CID 15210909) has the molecular formula C14H3F25O and a molecular weight of 662.13 g/mol. Its IUPAC name is 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene
PubChem CID15210909
Molecular FormulaC14H3F25O
Molecular Weight662.13 g/mol
Exact Mass661.98
IUPAC Name1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H3F25O/c15-4(16)8(21,22)10(26,27)5(17,18)1-40-3(9(23,24)25)2(6(19,11(28,29)30)12(31,32)33)7(20,13(34,35)36)14(37,38)39/h4H,1H2
InChIKeyNOHTYTPTCONNLH-UHFFFAOYSA-N
XLogP8.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.13
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,4,4,5,5,5-Octafluoro-3-(2,2,3,3-tetrafluoropropoxy)-2-(trifluoromethyl)pent-2-ene
CID 13513424
4-(Difluoromethyl)-2-ethoxy-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
CID 53682565
(E)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,8-pentadecafluoro-4-(2,2,3,3-tetrafluoropropoxy)oct-3-ene
CID 89614750
1,1,1,4,5,5,5-Heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-propan-2-yloxy-4-(trifluoromethyl)pent-2-ene
CID 146326563
3-(2,2-Difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
CID 156773725
3,3,4,4-Tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutene
CID 167433161
1,1,1,4,4,5,5,5-Octafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pent-2-ene
CID 170693713
1,1,1,4,4,5,5,5-Octafluoro-3-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)pent-2-ene
CID 170698893
1,1,1,4,4,5,5,5-Octafluoro-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene
CID 170698896
3,3,4,4-Tetrafluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)cyclobutene
CID 172509424
1,1,1,2,2,3,5,5,6,6,7,7,8,8,8-Pentadecafluoro-4-(2,2,3,3-tetrafluoropropoxy)oct-3-ene
CID 173511288
3-(1,2-Difluoroethoxy)-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
CID 175359702

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene (CID 15210909) is 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene is FC(F)C(F)(F)C(F)(F)C(F)(F)COC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene?
The InChIKey is NOHTYTPTCONNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H3F25O/c15-4(16)8(21,22)10(26,27)5(17,18)1-40-3(9(23,24)25)2(6(19,11(28,29)30)12(31,32)33)7(20,13(34,35)36)14(37,38)39/h4H,1H2.
What are the key properties of 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene?
1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene has a molecular weight of 662.13 g/mol, XLogP of 8.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 15210909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).