4-(difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene

C10H4F16O — CID 54288252

IUPAC4-(difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene
SMILESCOC(=C(C(F)(C(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F16O/c1-27-3(7(15,16)17)2(5(13,4(11)12)8(18,19)20)6(14,9(21,22)23)10(24,25)26/h4H,1H3
InChIKeyRVRCMZYRBSNRKH-UHFFFAOYSA-N
MW444.11 g/mol
LogP5.82
Rot. Bonds4

About 4-(difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene

4-(difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene (PubChem CID 54288252) has the molecular formula C10H4F16O and a molecular weight of 444.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene.

Molecular Properties

Compound Name4-(difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene
PubChem CID54288252
Molecular FormulaC10H4F16O
Molecular Weight444.11 g/mol
Exact Mass444.00
IUPAC Name4-(difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene
SMILESCOC(=C(C(F)(C(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F16O/c1-27-3(7(15,16)17)2(5(13,4(11)12)8(18,19)20)6(14,9(21,22)23)10(24,25)26/h4H,1H3
InChIKeyRVRCMZYRBSNRKH-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.11
LogP ≤ 55.82
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 4-(difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene?
The IUPAC name of 4-(difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene (CID 54288252) is 4-(difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene.
What is the SMILES notation for 4-(difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene?
The canonical SMILES for 4-(difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene is COC(=C(C(F)(C(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 4-(difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene?
The InChIKey is RVRCMZYRBSNRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F16O/c1-27-3(7(15,16)17)2(5(13,4(11)12)8(18,19)20)6(14,9(21,22)23)10(24,25)26/h4H,1H3.
What are the key properties of 4-(difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene?
4-(difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene has a molecular weight of 444.11 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxypent-2-ene is sourced from PubChem (CID 54288252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).