1,1,1,2,3,4,5,5,5-nonafluoro-4-methoxypent-2-ene

C6H3F9O — CID 87091254

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-4-methoxypent-2-ene
SMILESCOC(F)(C(F)=C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F9O/c1-16-4(9,6(13,14)15)2(7)3(8)5(10,11)12/h1H3
InChIKeyRXTHCRMIJMEURB-UHFFFAOYSA-N
MW262.07 g/mol
LogP3.57
Rot. Bonds2

About 1,1,1,2,3,4,5,5,5-nonafluoro-4-methoxypent-2-ene

1,1,1,2,3,4,5,5,5-nonafluoro-4-methoxypent-2-ene (PubChem CID 87091254) has the molecular formula C6H3F9O and a molecular weight of 262.07 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-4-methoxypent-2-ene.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-4-methoxypent-2-ene
PubChem CID87091254
Molecular FormulaC6H3F9O
Molecular Weight262.07 g/mol
Exact Mass262.00
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-4-methoxypent-2-ene
SMILESCOC(F)(C(F)=C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F9O/c1-16-4(9,6(13,14)15)2(7)3(8)5(10,11)12/h1H3
InChIKeyRXTHCRMIJMEURB-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.07
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,2,3,4,5,5,5-Nonafluoro-4-methoxypent-2-ene
CID 12756903
1,2,3,3,4,4,5-Heptafluoro-5-methoxycyclopentene
CID 129671657
Methyl pentafluoro-2-cyclobutenyl ether
CID 129812919
4-Ethoxy-1,1,1,2,3,4,5,5,5-nonafluoropent-2-ene
CID 12756904
1,2,3,3,4,5,6-Heptafluoro-6-methoxycyclohexa-1,4-diene
CID 21731961
1,1,2,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-methoxyhept-2-ene
CID 71381712
1,1,1,2,2,3,4,5,6,6,7,7,7-Tridecafluoro-5-methoxyhept-3-ene
CID 87091155
1,1,1,2,3,4,5,5,6,6,7,7,7-Tridecafluoro-4-methoxyhept-2-ene
CID 87091229
1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-2-methoxyoct-3-ene
CID 87091318
(E)-1,1,2,3,4,4,5,5,5-nonafluoro-1-methoxypent-2-ene
CID 117820977
1,1,1,2,2,3,4,5,6,6,7,7,7-Tridecafluoro-5-methoxyheptane-3-ene
CID 132609089
(E)-1,1,2,3,4,4-hexafluoro-1-methoxypent-2-ene
CID 135128622

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-4-methoxypent-2-ene?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-4-methoxypent-2-ene (CID 87091254) is 1,1,1,2,3,4,5,5,5-nonafluoro-4-methoxypent-2-ene.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-4-methoxypent-2-ene?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-4-methoxypent-2-ene is COC(F)(C(F)=C(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,5-nonafluoro-4-methoxypent-2-ene?
The InChIKey is RXTHCRMIJMEURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F9O/c1-16-4(9,6(13,14)15)2(7)3(8)5(10,11)12/h1H3.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-4-methoxypent-2-ene?
1,1,1,2,3,4,5,5,5-nonafluoro-4-methoxypent-2-ene has a molecular weight of 262.07 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,5,5-nonafluoro-4-methoxypent-2-ene is sourced from PubChem (CID 87091254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).