4-ethylidene-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-ene

C10H5F13 — CID 174514184

IUPAC4-ethylidene-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-ene
SMILESCC=C(C=C(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H5F13/c1-2-4(3-5(11)7(14,15)16)6(12,13)8(17,18)9(19,20)10(21,22)23/h2-3H,1H3
InChIKeyVXYBKNMRJIVQSN-UHFFFAOYSA-N
MW372.12 g/mol
LogP5.82
Rot. Bonds4

About 4-ethylidene-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-ene

4-ethylidene-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-ene (PubChem CID 174514184) has the molecular formula C10H5F13 and a molecular weight of 372.12 g/mol. Its IUPAC name is 4-ethylidene-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-ene.

Molecular Properties

Compound Name4-ethylidene-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-ene
PubChem CID174514184
Molecular FormulaC10H5F13
Molecular Weight372.12 g/mol
Exact Mass372.02
IUPAC Name4-ethylidene-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-ene
SMILESCC=C(C=C(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H5F13/c1-2-4(3-5(11)7(14,15)16)6(12,13)8(17,18)9(19,20)10(21,22)23/h2-3H,1H3
InChIKeyVXYBKNMRJIVQSN-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.12
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 174983751
(Z)-3,4,4,5,5,5-hexafluoropent-2-ene
CID 57455081
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
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(Z)-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol
CID 102450031
3-ethyl-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoropentadec-2-ene
CID 174838842
3,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-3-en-2-one
CID 71329203
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-tetracosafluorotridec-1-ene
CID 162345261
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-dotriacontafluoroheptadec-1-ene
CID 162345633
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-octadecafluorodec-1-ene
CID 175705428
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1-chloro-2,3,3,4,4,5,5,5-octafluoropent-1-ene
CID 151086807

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-ene?
The IUPAC name of 4-ethylidene-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-ene (CID 174514184) is 4-ethylidene-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-ene.
What is the SMILES notation for 4-ethylidene-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-ene?
The canonical SMILES for 4-ethylidene-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-ene is CC=C(C=C(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-ethylidene-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-ene?
The InChIKey is VXYBKNMRJIVQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F13/c1-2-4(3-5(11)7(14,15)16)6(12,13)8(17,18)9(19,20)10(21,22)23/h2-3H,1H3.
What are the key properties of 4-ethylidene-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-ene?
4-ethylidene-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-ene has a molecular weight of 372.12 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-ene is sourced from PubChem (CID 174514184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).