ethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene

C13H11F17 — CID 174780753

IUPACethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene
SMILESCC.CC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F17.C2H6/c1-2-3-4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28;1-2/h2-3H,1H3;1-2H3
InChIKeyIPARSGXRTSNPDN-UHFFFAOYSA-N
MW490.20 g/mol
LogP7.60
Rot. Bonds7

About ethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene

ethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene (PubChem CID 174780753) has the molecular formula C13H11F17 and a molecular weight of 490.20 g/mol. Its IUPAC name is ethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene.

Molecular Properties

Compound Nameethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene
PubChem CID174780753
Molecular FormulaC13H11F17
Molecular Weight490.20 g/mol
Exact Mass490.06
IUPAC Nameethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene
SMILESCC.CC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F17.C2H6/c1-2-3-4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28;1-2/h2-3H,1H3;1-2H3
InChIKeyIPARSGXRTSNPDN-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.20
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene with MolForge

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Related Compounds

(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
CID 13299944
1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-docosafluorododec-1-ene
CID 87484232
1,3,3,4,4,5,5,6,6,6-decafluorohex-1-ene
CID 87266464
(E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene
CID 176629655
(E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene
CID 98453175
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene;hydroiodide
CID 175246817
4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene
CID 160505772
(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-2-ene
CID 89419217
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanal
CID 91543394
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal
CID 23080700

Frequently Asked Questions

What is the IUPAC name of ethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene?
The IUPAC name of ethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene (CID 174780753) is ethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene.
What is the SMILES notation for ethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene?
The canonical SMILES for ethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene is CC.CC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene?
The InChIKey is IPARSGXRTSNPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F17.C2H6/c1-2-3-4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28;1-2/h2-3H,1H3;1-2H3.
What are the key properties of ethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene?
ethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene has a molecular weight of 490.20 g/mol, XLogP of 7.60, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene is sourced from PubChem (CID 174780753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).