1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene

C7H3F9O — CID 12949445

IUPAC1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene
SMILESCOC1(F)C(F)=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H3F9O/c1-17-5(12)3(9)2(8)4(10,11)6(13,14)7(5,15)16/h1H3
InChIKeyUIDMVOWDIXIPCV-UHFFFAOYSA-N
MW274.08 g/mol
LogP3.37
Rot. Bonds1

About 1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene

1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene (PubChem CID 12949445) has the molecular formula C7H3F9O and a molecular weight of 274.08 g/mol. Its IUPAC name is 1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene.

Molecular Properties

Compound Name1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene
PubChem CID12949445
Molecular FormulaC7H3F9O
Molecular Weight274.08 g/mol
Exact Mass274.00
IUPAC Name1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene
SMILESCOC1(F)C(F)=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H3F9O/c1-17-5(12)3(9)2(8)4(10,11)6(13,14)7(5,15)16/h1H3
InChIKeyUIDMVOWDIXIPCV-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.08
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene?
The IUPAC name of 1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene (CID 12949445) is 1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene.
What is the SMILES notation for 1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene?
The canonical SMILES for 1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene is COC1(F)C(F)=C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene?
The InChIKey is UIDMVOWDIXIPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F9O/c1-17-5(12)3(9)2(8)4(10,11)6(13,14)7(5,15)16/h1H3.
What are the key properties of 1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene?
1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene has a molecular weight of 274.08 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,4,5,5,6-nonafluoro-6-methoxycyclohexene is sourced from PubChem (CID 12949445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).