7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene

C14H11F17 — CID 162345348

IUPAC7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene
SMILESCCCCC=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/C14H11F17/c1-2-3-4-5-6-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5-6H,2-4H2,1H3
InChIKeyNOHLLTHGANBXNS-UHFFFAOYSA-N
MW502.21 g/mol
LogP7.74
Rot. Bonds10

About 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene

7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene (PubChem CID 162345348) has the molecular formula C14H11F17 and a molecular weight of 502.21 g/mol. Its IUPAC name is 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene.

Molecular Properties

Compound Name7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene
PubChem CID162345348
Molecular FormulaC14H11F17
Molecular Weight502.21 g/mol
Exact Mass502.06
IUPAC Name7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene
SMILESCCCCC=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/C14H11F17/c1-2-3-4-5-6-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5-6H,2-4H2,1H3
InChIKeyNOHLLTHGANBXNS-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.21
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 10864207
(6E)-8,8,9,9,10,10,11,11,12,12,13,13,13-Tridecafluorotridec-6-ene
CID 11761506
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorohexadec-7-ene
CID 2776160
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorotetradec-7-ene
CID 2776180
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-nonene
CID 2776255
(7E)-1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorohexadec-7-ene
CID 5708691
(7E)-9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Heptadecafluorohexadec-7-ene
CID 12820302
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundec-2-ene
CID 54240412
7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Pentadecafluorotridec-5-ene
CID 54254754
1,1,1,2,2,3,3,4,4-Nonafluorohexadec-5-ene
CID 54256796
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorohexacos-9-ene
CID 72373295

Frequently Asked Questions

What is the IUPAC name of 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene?
The IUPAC name of 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene (CID 162345348) is 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene.
What is the SMILES notation for 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene?
The canonical SMILES for 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene is CCCCC=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 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene?
The InChIKey is NOHLLTHGANBXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F17/c1-2-3-4-5-6-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5-6H,2-4H2,1H3.
What are the key properties of 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene?
7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene has a molecular weight of 502.21 g/mol, XLogP of 7.74, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradec-5-ene is sourced from PubChem (CID 162345348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).