1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene

C12H7F17 — CID 87394996

IUPAC1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene
SMILESCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C12H7F17/c1-2-3-6(16,17)8(20,21)10(24,25)12(28,29)11(26,27)9(22,23)7(18,19)4(13)5(14)15/h2-3H2,1H3
InChIKeyASJYUTAUBDPUBL-UHFFFAOYSA-N
MW474.15 g/mol
LogP7.31
Rot. Bonds9

About 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene (PubChem CID 87394996) has the molecular formula C12H7F17 and a molecular weight of 474.15 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene.

Molecular Properties

Compound Name1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene
PubChem CID87394996
Molecular FormulaC12H7F17
Molecular Weight474.15 g/mol
Exact Mass474.03
IUPAC Name1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene
SMILESCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C12H7F17/c1-2-3-6(16,17)8(20,21)10(24,25)12(28,29)11(26,27)9(22,23)7(18,19)4(13)5(14)15/h2-3H2,1H3
InChIKeyASJYUTAUBDPUBL-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.15
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene with MolForge

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Related Compounds

1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene
CID 87084484
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol
CID 87670862
1,1,2,3,3,4,4-heptafluorododec-1-ene
CID 154155860
1,2,2,3,3,4,4-heptafluoroheptane-1,1-diol
CID 150787690
1,1,2,3,3,4,4,5,5,6,6-undecafluorohept-1-ene
CID 87084377
10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol
CID 121403306
1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate
CID 139608619
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridecan-1-ol
CID 121403329
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
potassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate
CID 122480837
5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene
CID 139602827
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene?
The IUPAC name of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene (CID 87394996) is 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene.
What is the SMILES notation for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene?
The canonical SMILES for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene is CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene?
The InChIKey is ASJYUTAUBDPUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F17/c1-2-3-6(16,17)8(20,21)10(24,25)12(28,29)11(26,27)9(22,23)7(18,19)4(13)5(14)15/h2-3H2,1H3.
What are the key properties of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene?
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene has a molecular weight of 474.15 g/mol, XLogP of 7.31, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene is sourced from PubChem (CID 87394996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).