1,1,2,3,3,4,4-heptafluorododec-1-ene

C12H17F7 — CID 154155860

IUPAC1,1,2,3,3,4,4-heptafluorododec-1-ene
SMILESCCCCCCCCC(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C12H17F7/c1-2-3-4-5-6-7-8-11(16,17)12(18,19)9(13)10(14)15/h2-8H2,1H3
InChIKeyAPTQRTRIQMWAMI-UHFFFAOYSA-N
MW294.25 g/mol
LogP6.09
Rot. Bonds9

About 1,1,2,3,3,4,4-heptafluorododec-1-ene

1,1,2,3,3,4,4-heptafluorododec-1-ene (PubChem CID 154155860) has the molecular formula C12H17F7 and a molecular weight of 294.25 g/mol. Its IUPAC name is 1,1,2,3,3,4,4-heptafluorododec-1-ene.

Molecular Properties

Compound Name1,1,2,3,3,4,4-heptafluorododec-1-ene
PubChem CID154155860
Molecular FormulaC12H17F7
Molecular Weight294.25 g/mol
Exact Mass294.12
IUPAC Name1,1,2,3,3,4,4-heptafluorododec-1-ene
SMILESCCCCCCCCC(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C12H17F7/c1-2-3-4-5-6-7-8-11(16,17)12(18,19)9(13)10(14)15/h2-8H2,1H3
InChIKeyAPTQRTRIQMWAMI-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.25
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene
CID 87084484
1,1,1,2,2-pentafluorononadecane
CID 98452406
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane
CID 166650292
heptadecane;hypofluorous acid
CID 158426244
9-fluoropentacosan-9-ol
CID 139794548
3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861
5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol
CID 121403452
1,1,1-trifluorohexadecane
CID 15685316
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4-heptafluorododec-1-ene?
The IUPAC name of 1,1,2,3,3,4,4-heptafluorododec-1-ene (CID 154155860) is 1,1,2,3,3,4,4-heptafluorododec-1-ene.
What is the SMILES notation for 1,1,2,3,3,4,4-heptafluorododec-1-ene?
The canonical SMILES for 1,1,2,3,3,4,4-heptafluorododec-1-ene is CCCCCCCCC(F)(F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3,4,4-heptafluorododec-1-ene?
The InChIKey is APTQRTRIQMWAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F7/c1-2-3-4-5-6-7-8-11(16,17)12(18,19)9(13)10(14)15/h2-8H2,1H3.
What are the key properties of 1,1,2,3,3,4,4-heptafluorododec-1-ene?
1,1,2,3,3,4,4-heptafluorododec-1-ene has a molecular weight of 294.25 g/mol, XLogP of 6.09, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4-heptafluorododec-1-ene is sourced from PubChem (CID 154155860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).