3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane

C6H3Cl3F8 — CID 177190739

IUPAC3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane
SMILESFC(F)(F)C(Cl)(Cl)CC(Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3Cl3F8/c7-2(4(10,11)6(15,16)17)1-3(8,9)5(12,13)14/h2H,1H2
InChIKeyFSIQBGJJTCVVJU-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.92
Rot. Bonds3

About 3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane

3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane (PubChem CID 177190739) has the molecular formula C6H3Cl3F8 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane.

Molecular Properties

Compound Name3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane
PubChem CID177190739
Molecular FormulaC6H3Cl3F8
Molecular Weight333.43 g/mol
Exact Mass331.92
IUPAC Name3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane
SMILESFC(F)(F)C(Cl)(Cl)CC(Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3Cl3F8/c7-2(4(10,11)6(15,16)17)1-3(8,9)5(12,13)14/h2H,1H2
InChIKeyFSIQBGJJTCVVJU-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.92
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

2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane
CID 168864628
3,5,5-trichloro-6,6,6-trifluorohexanoic acid
CID 20523995
2,4,4,4-tetrachloro-1,1,1-trifluorobutane
CID 58915594
ethyl 5,7,7-trichloro-8,8,8-trifluoro-4,4-dimethyloctanoate
CID 151795135
1,1,3-trichloro-1,3-difluoropropane
CID 23295392
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
(3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane
CID 97291038
2,3-dichloro-1,1,1,2-tetrafluorohexane
CID 141228744
ethyl 4,6,6-trichloro-7,7,8,8,8-pentafluoro-3,3-dimethyloctanoate
CID 13020518
4-chloro-1,1,1,2,2-pentafluoro-3-methylbutane
CID 12613474
1,1,1-trichloro-2,2,2-trifluoroethane
CID 9635
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane?
The IUPAC name of 3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane (CID 177190739) is 3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane.
What is the SMILES notation for 3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane?
The canonical SMILES for 3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane is FC(F)(F)C(Cl)(Cl)CC(Cl)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane?
The InChIKey is FSIQBGJJTCVVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3F8/c7-2(4(10,11)6(15,16)17)1-3(8,9)5(12,13)14/h2H,1H2.
What are the key properties of 3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane?
3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane has a molecular weight of 333.43 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane is sourced from PubChem (CID 177190739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).