4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene

C10H5F15 — CID 58729237

IUPAC4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene
SMILESC=CC(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H5F15/c1-2-3(7(17,18)19)5(13,14)8(20,21)10(24,25)9(22,23)6(15,16)4(11)12/h2-4H,1H2
InChIKeyKKNHCBIOUCYEFA-UHFFFAOYSA-N
MW410.12 g/mol
LogP5.79
Rot. Bonds7

About 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene

4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene (PubChem CID 58729237) has the molecular formula C10H5F15 and a molecular weight of 410.12 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene
PubChem CID58729237
Molecular FormulaC10H5F15
Molecular Weight410.12 g/mol
Exact Mass410.02
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene
SMILESC=CC(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H5F15/c1-2-3(7(17,18)19)5(13,14)8(20,21)10(24,25)9(22,23)6(15,16)4(11)12/h2-4H,1H2
InChIKeyKKNHCBIOUCYEFA-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.12
LogP ≤ 55.79
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 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene with MolForge

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Related Compounds

4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-3-methyl-10-(trifluoromethyl)undec-1-ene
CID 12045648
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
12,12,13,13,13-Pentafluoro-8-methyltridec-1-ene
CID 20579541
13,13,14,14,14-Pentafluoro-8-methyltetradec-1-ene
CID 20579542
13,13,14,14,14-Pentafluoro-9-methyltetradec-1-ene
CID 20579543
14,14,15,15,15-Pentafluoro-8-methylpentadec-1-ene
CID 20579544
14,14,15,15,15-Pentafluoro-9-methylpentadec-1-ene
CID 20579546
15,15,16,16,16-Pentafluoro-8-methylhexadec-1-ene
CID 20579547
15,15,16,16,16-Pentafluoro-9-methylhexadec-1-ene
CID 20579548

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene (CID 58729237) is 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene is C=CC(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene?
The InChIKey is KKNHCBIOUCYEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F15/c1-2-3(7(17,18)19)5(13,14)8(20,21)10(24,25)9(22,23)6(15,16)4(11)12/h2-4H,1H2.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene?
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene has a molecular weight of 410.12 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-3-(trifluoromethyl)non-1-ene is sourced from PubChem (CID 58729237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).