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

C10H3F17O — CID 15124830

IUPAC1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-4-(trifluoromethyl)pent-2-ene
SMILESCOC(=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/C10H3F17O/c1-28-3(6(13,14)15)2(4(11,7(16,17)18)8(19,20)21)5(12,9(22,23)24)10(25,26)27/h1H3
InChIKeyICDOJJYBTLBLAX-UHFFFAOYSA-N
MW462.10 g/mol
LogP6.11
Rot. Bonds3

About 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-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-methoxy-4-(trifluoromethyl)pent-2-ene (PubChem CID 15124830) has the molecular formula C10H3F17O and a molecular weight of 462.10 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-methoxy-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-methoxy-4-(trifluoromethyl)pent-2-ene
PubChem CID15124830
Molecular FormulaC10H3F17O
Molecular Weight462.10 g/mol
Exact Mass461.99
IUPAC Name1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-4-(trifluoromethyl)pent-2-ene
SMILESCOC(=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/C10H3F17O/c1-28-3(6(13,14)15)2(4(11,7(16,17)18)8(19,20)21)5(12,9(22,23)24)10(25,26)27/h1H3
InChIKeyICDOJJYBTLBLAX-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.10
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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-methoxy-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-methoxy-4-(trifluoromethyl)pent-2-ene (CID 15124830) is 1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-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-methoxy-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-methoxy-4-(trifluoromethyl)pent-2-ene is 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-methoxy-4-(trifluoromethyl)pent-2-ene?
The InChIKey is ICDOJJYBTLBLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F17O/c1-28-3(6(13,14)15)2(4(11,7(16,17)18)8(19,20)21)5(12,9(22,23)24)10(25,26)27/h1H3.
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-methoxy-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-methoxy-4-(trifluoromethyl)pent-2-ene has a molecular weight of 462.10 g/mol, XLogP of 6.11, 3 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-methoxy-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 15124830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).