1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene

C9H3F15O — CID 87091318

IUPAC1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene
SMILESCOC(F)(C(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3F15O/c1-25-5(14,8(19,20)21)3(11)2(10)4(12,13)6(15,16)7(17,18)9(22,23)24/h1H3
InChIKeyGRAVXMKICSKBIS-UHFFFAOYSA-N
MW412.09 g/mol
LogP5.48
Rot. Bonds5

About 1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene

1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene (PubChem CID 87091318) has the molecular formula C9H3F15O and a molecular weight of 412.09 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene
PubChem CID87091318
Molecular FormulaC9H3F15O
Molecular Weight412.09 g/mol
Exact Mass411.99
IUPAC Name1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene
SMILESCOC(F)(C(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H3F15O/c1-25-5(14,8(19,20)21)3(11)2(10)4(12,13)6(15,16)7(17,18)9(22,23)24/h1H3
InChIKeyGRAVXMKICSKBIS-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.09
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene with MolForge

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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
5-Methoxyperfluoro-2,4-dimethyl-3-heptene
CID 129813210
1,2,3,3,4,5,6-Heptafluoro-6-methoxycyclohexa-1,4-diene
CID 21731961
(E)-1,1,1,2,5,5,6,6,6-nonafluoro-4-methoxy-3,4-bis(trifluoromethyl)hex-2-ene
CID 21732815
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
CID 87091254
CID 87091254
(E)-1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-(2,2,3,3-tetrafluoropropoxy)oct-3-ene
CID 89614881
(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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene?
The IUPAC name of 1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene (CID 87091318) is 1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene.
What is the SMILES notation for 1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene?
The canonical SMILES for 1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene is COC(F)(C(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene?
The InChIKey is GRAVXMKICSKBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F15O/c1-25-5(14,8(19,20)21)3(11)2(10)4(12,13)6(15,16)7(17,18)9(22,23)24/h1H3.
What are the key properties of 1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene?
1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene has a molecular weight of 412.09 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-2-methoxyoct-3-ene is sourced from PubChem (CID 87091318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).