1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene

C8H3F13O — CID 150184728

IUPAC1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene
SMILESCOC(F)(C(F)(F)C(F)=C(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F13O/c1-22-7(18,4(12,13)2(9)3(10)11)5(14,15)6(16,17)8(19,20)21/h1H3
InChIKeyFMEADMBMORCDNC-UHFFFAOYSA-N
MW362.09 g/mol
LogP4.84
Rot. Bonds5

About 1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene

1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene (PubChem CID 150184728) has the molecular formula C8H3F13O and a molecular weight of 362.09 g/mol. Its IUPAC name is 1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene.

Molecular Properties

Compound Name1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene
PubChem CID150184728
Molecular FormulaC8H3F13O
Molecular Weight362.09 g/mol
Exact Mass362.00
IUPAC Name1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene
SMILESCOC(F)(C(F)(F)C(F)=C(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F13O/c1-22-7(18,4(12,13)2(9)3(10)11)5(14,15)6(16,17)8(19,20)21/h1H3
InChIKeyFMEADMBMORCDNC-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.09
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate
CID 139608619
1,1,1,2,3,3,4,5,5-nonafluoropent-4-en-2-yl hypofluorite
CID 131973025
1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane;1,1,1,2,2,3,4,4,4-nonafluoro-3-methoxybutane
CID 161274146
methane;1,1,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-1-ene;3,4,4-trifluorobut-3-en-2-one
CID 160651878
1,1,1,2,2,3,3,4,4,5,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-5-ene
CID 85237088
1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3,4,5,5-nonafluoropent-4-en-2-yloxy)ethanesulfonic acid
CID 141360461
1,1,2,3,3,4,4,5,5,6,6-undecafluorohept-1-ene
CID 87084377
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,1,2,2,3,3,4,5,5-nonafluoropent-4-enoxy)pent-1-ene
CID 87892167
1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluoro-4-(1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexan-3-yloxy)hexane
CID 13450994
1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene
CID 173307973
1,1,2,4,4,5,5,5-octafluoro-3,3-bis(trifluoromethyl)pent-1-ene
CID 98117232
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodec-1-ene;prop-2-enoic acid
CID 175128551

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene?
The IUPAC name of 1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene (CID 150184728) is 1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene.
What is the SMILES notation for 1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene?
The canonical SMILES for 1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene is COC(F)(C(F)(F)C(F)=C(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene?
The InChIKey is FMEADMBMORCDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F13O/c1-22-7(18,4(12,13)2(9)3(10)11)5(14,15)6(16,17)8(19,20)21/h1H3.
What are the key properties of 1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene?
1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene has a molecular weight of 362.09 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,5,5,6,6,7,7,7-tridecafluoro-4-methoxyhept-1-ene is sourced from PubChem (CID 150184728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).