3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)dec-1-ene

C11H3F19 — CID 139713639

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)dec-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H3F19/c1-2-3(12,13)5(15,16)7(19,20)9(23,24)8(21,22)6(17,18)4(14,10(25,26)27)11(28,29)30/h2H,1H2
InChIKeyVRYUXNUPYNHPQH-UHFFFAOYSA-N
MW496.11 g/mol
LogP6.82
Rot. Bonds7

About 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)dec-1-ene

3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)dec-1-ene (PubChem CID 139713639) has the molecular formula C11H3F19 and a molecular weight of 496.11 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)dec-1-ene.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)dec-1-ene
PubChem CID139713639
Molecular FormulaC11H3F19
Molecular Weight496.11 g/mol
Exact Mass495.99
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)dec-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H3F19/c1-2-3(12,13)5(15,16)7(19,20)9(23,24)8(21,22)6(17,18)4(14,10(25,26)27)11(28,29)30/h2H,1H2
InChIKeyVRYUXNUPYNHPQH-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.11
LogP ≤ 56.82
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'}

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Related Compounds

1H,1H,2H-Perfluoro-1-decene
CID 88990
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecene
CID 121692
(Perfluoroheptyl)ethene
CID 117482
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Pentacosafluorotetradec-1-ene
CID 2782411
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Nonadecafluoroundec-1-ene
CID 98453292
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Tricosafluorotridec-1-ene
CID 98453294
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-Heptacosafluoropentadec-1-ene
CID 99648769
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
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
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-3-methylnon-1-ene
CID 54167413
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

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)dec-1-ene?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)dec-1-ene (CID 139713639) is 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)dec-1-ene.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)dec-1-ene?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)dec-1-ene is C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)dec-1-ene?
The InChIKey is VRYUXNUPYNHPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F19/c1-2-3(12,13)5(15,16)7(19,20)9(23,24)8(21,22)6(17,18)4(14,10(25,26)27)11(28,29)30/h2H,1H2.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)dec-1-ene?
3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)dec-1-ene has a molecular weight of 496.11 g/mol, XLogP of 6.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)dec-1-ene is sourced from PubChem (CID 139713639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).