1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene

C12H7F17 — CID 139624037

IUPAC1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene
SMILESFC(F)=CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H7F17/c13-5(14)1-6(15,16)2-7(17,18)3-8(19,20)4-9(21,11(24,25)26)10(22,23)12(27,28)29/h1H,2-4H2
InChIKeyWAAQEIBETNRZSP-UHFFFAOYSA-N
MW474.15 g/mol
LogP7.31
Rot. Bonds8

About 1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene

1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene (PubChem CID 139624037) has the molecular formula C12H7F17 and a molecular weight of 474.15 g/mol. Its IUPAC name is 1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene.

Molecular Properties

Compound Name1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene
PubChem CID139624037
Molecular FormulaC12H7F17
Molecular Weight474.15 g/mol
Exact Mass474.03
IUPAC Name1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene
SMILESFC(F)=CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H7F17/c13-5(14)1-6(15,16)2-7(17,18)3-8(19,20)4-9(21,11(24,25)26)10(22,23)12(27,28)29/h1H,2-4H2
InChIKeyWAAQEIBETNRZSP-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
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 1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene with MolForge

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-Hexacosafluoro-8-prop-2-enylpentadecane
CID 162538604
4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-10-(trifluoromethyl)-1-undecene
CID 12045641
3-Ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene
CID 18755105
5-Ethenyl-1,1,1,2,2,3,3,4,4-nonafluorodecane
CID 19760605
3,4,4,5,5,6,6,7,7,8,8,8-Dodecafluoro-3-propan-2-yloct-1-ene
CID 23190443
5-Ethenyl-1,1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
CID 54450111
8,9,9,9-Tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene
CID 57709768
4,4,5,5,6,6,7,7,8,8,9,9-Dodecafluoro-3-(trifluoromethyl)non-1-ene
CID 58729237
9,10,10,10-Tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-9-(trifluoromethyl)dec-1-ene
CID 58901199
6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoro-4-(trifluoromethyl)undec-1-ene
CID 58901252
4-(2,2-Difluoroethenyl)-1,1,1,2,6,7,7,7-octafluoro-2,6-bis(trifluoromethyl)heptane
CID 58915554
1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane
CID 58915558

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene?
The IUPAC name of 1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene (CID 139624037) is 1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene.
What is the SMILES notation for 1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene?
The canonical SMILES for 1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene is FC(F)=CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene?
The InChIKey is WAAQEIBETNRZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F17/c13-5(14)1-6(15,16)2-7(17,18)3-8(19,20)4-9(21,11(24,25)26)10(22,23)12(27,28)29/h1H,2-4H2.
What are the key properties of 1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene?
1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene has a molecular weight of 474.15 g/mol, XLogP of 7.31, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,5,5,7,7,9,10,10,11,11,11-tetradecafluoro-9-(trifluoromethyl)undec-1-ene is sourced from PubChem (CID 139624037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).