1-but-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene

C10H7F9O — CID 59259645

IUPAC1-but-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene
SMILESC=CCCOC1=C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H7F9O/c1-2-3-4-20-6-5(11)7(12,13)9(16,17)10(18,19)8(6,14)15/h2H,1,3-4H2
InChIKeyUWPGECFSZDOPPT-UHFFFAOYSA-N
MW314.15 g/mol
LogP4.32
Rot. Bonds4

About 1-but-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene

1-but-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene (PubChem CID 59259645) has the molecular formula C10H7F9O and a molecular weight of 314.15 g/mol. Its IUPAC name is 1-but-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene.

Molecular Properties

Compound Name1-but-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene
PubChem CID59259645
Molecular FormulaC10H7F9O
Molecular Weight314.15 g/mol
Exact Mass314.04
IUPAC Name1-but-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene
SMILESC=CCCOC1=C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H7F9O/c1-2-3-4-20-6-5(11)7(12,13)9(16,17)10(18,19)8(6,14)15/h2H,1,3-4H2
InChIKeyUWPGECFSZDOPPT-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Cyclohexene, 1-(2,2,2-trifluoroethoxy)nonafluoro-
CID 75376
1-Ethoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohex-1-ene
CID 75258
1-(3-Butenyloxy)-2,3,3,4,4,5,5-heptafluorocyclopentene
CID 59259641
1-Fluoro-2-(1,1,1-trifluoropent-4-en-2-yloxy)cyclopentene
CID 66680850
1-[[1-(Trifluoromethyl)-3-butenyl]oxy]-2,3,3,4,4,5,5-heptafluorocyclopentene
CID 87108583
1-Ethoxy-4,4-difluorocyclohexene
CID 90862971
1,3,3,4,4,5,5-Heptafluoro-2-pent-4-enoxycyclopentene
CID 122554587
1-But-3-enoxy-3,3,4,4,5,5-hexafluorocyclopentene
CID 140239887
(Z)-4,4,5,5,6,6-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene
CID 142659699
(Z)-5,5,6,6,7,7-hexafluoro-3-[(E)-prop-1-enoxy]oct-2-ene
CID 142659701
3,3,4,4,5,5,6,6-Octafluoro-1,2-bis(2,2,2-trifluoroethoxy)cyclohexene
CID 155670464
3,3,4,4,5-Pentafluoro-1-(1,2,3,3-tetrafluoropropoxy)cyclopentene
CID 175337746

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene?
The IUPAC name of 1-but-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene (CID 59259645) is 1-but-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene.
What is the SMILES notation for 1-but-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene?
The canonical SMILES for 1-but-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene is C=CCCOC1=C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-but-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene?
The InChIKey is UWPGECFSZDOPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F9O/c1-2-3-4-20-6-5(11)7(12,13)9(16,17)10(18,19)8(6,14)15/h2H,1,3-4H2.
What are the key properties of 1-but-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene?
1-but-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene has a molecular weight of 314.15 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene is sourced from PubChem (CID 59259645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).