1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene

C11H3Cl3F16 — CID 154432879

IUPAC1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene
SMILESFC(C(F)(F)Cl)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(Cl)=CCl)C(F)(F)F
InChIInChI=1S/C11H3Cl3F16/c12-1-2(13)6(19,11(28,29)30)9(24,25)10(26,27)7(20,21)3(15)5(17,18)4(16)8(14,22)23/h1,3-4H
InChIKeySGTMUCSRKRSGEQ-UHFFFAOYSA-N
MW545.47 g/mol
LogP7.62
Rot. Bonds8

About 1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene

1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene (PubChem CID 154432879) has the molecular formula C11H3Cl3F16 and a molecular weight of 545.47 g/mol. Its IUPAC name is 1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene.

Molecular Properties

Compound Name1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene
PubChem CID154432879
Molecular FormulaC11H3Cl3F16
Molecular Weight545.47 g/mol
Exact Mass543.90
IUPAC Name1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene
SMILESFC(C(F)(F)Cl)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(Cl)=CCl)C(F)(F)F
InChIInChI=1S/C11H3Cl3F16/c12-1-2(13)6(19,11(28,29)30)9(24,25)10(26,27)7(20,21)3(15)5(17,18)4(16)8(14,22)23/h1,3-4H
InChIKeySGTMUCSRKRSGEQ-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.47
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichloro-3,3,3-trifluoroprop-1-ene
CID 521135
(Z)-1,2-dichloro-3,3,3-trifluoroprop-1-ene
CID 5371734
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl carbonochloridate
CID 87686124
1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol
CID 91384893
1,1-dichloro-3,3,3-trifluoroprop-1-ene;1,2-dichloro-3,3,3-trifluoroprop-1-ene
CID 160547390
1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol
CID 174363014
1,1,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3-(trifluoromethyl)oct-1-ene
CID 159211842
2-chloro-1,2,2-trifluoroethanol
CID 57117523
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluorodecane-1-thiol
CID 18387026
2,3,4,4-tetrachloro-1,5,6,6,7,8,8,8-octafluorooct-1-ene
CID 150379236
2-chloro-1,1,3,4,4,5,6,6,7,7,8,8,12-tridecafluoro-9-methyl-3-(trifluoromethyl)dodec-1-ene
CID 154405431
(2R)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanal
CID 98118080

Frequently Asked Questions

What is the IUPAC name of 1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene?
The IUPAC name of 1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene (CID 154432879) is 1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene.
What is the SMILES notation for 1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene?
The canonical SMILES for 1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene is FC(C(F)(F)Cl)C(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(Cl)=CCl)C(F)(F)F.
What is the InChIKey of 1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene?
The InChIKey is SGTMUCSRKRSGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3Cl3F16/c12-1-2(13)6(19,11(28,29)30)9(24,25)10(26,27)7(20,21)3(15)5(17,18)4(16)8(14,22)23/h1,3-4H.
What are the key properties of 1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene?
1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene has a molecular weight of 545.47 g/mol, XLogP of 7.62, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,10-trichloro-3,4,4,5,5,6,6,7,8,8,9,10,10-tridecafluoro-3-(trifluoromethyl)dec-1-ene is sourced from PubChem (CID 154432879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).