2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane

C5H3Cl3F6 — CID 168864628

IUPAC2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane
SMILESFC(F)(F)C(Cl)CC(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C5H3Cl3F6/c6-2(4(9,10)11)1-3(7,8)5(12,13)14/h2H,1H2
InChIKeyJIPSYLSNJHLZAH-UHFFFAOYSA-N
MW283.43 g/mol
LogP4.28
Rot. Bonds2

About 2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane

2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane (PubChem CID 168864628) has the molecular formula C5H3Cl3F6 and a molecular weight of 283.43 g/mol. Its IUPAC name is 2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane.

Molecular Properties

Compound Name2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane
PubChem CID168864628
Molecular FormulaC5H3Cl3F6
Molecular Weight283.43 g/mol
Exact Mass281.92
IUPAC Name2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane
SMILESFC(F)(F)C(Cl)CC(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C5H3Cl3F6/c6-2(4(9,10)11)1-3(7,8)5(12,13)14/h2H,1H2
InChIKeyJIPSYLSNJHLZAH-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane
CID 177190739
2,4,4,4-tetrachloro-1,1,1-trifluorobutane
CID 58915594
3,5,5-trichloro-6,6,6-trifluorohexanoic acid
CID 20523995
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
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
1,1,1-trichloro-2,2,2-trifluoroethane
CID 9635
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane
CID 87308636
3-bromo-3-chloro-1,1,1-trifluoropropane
CID 18356503

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane?
The IUPAC name of 2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane (CID 168864628) is 2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane.
What is the SMILES notation for 2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane?
The canonical SMILES for 2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane is FC(F)(F)C(Cl)CC(Cl)(Cl)C(F)(F)F.
What is the InChIKey of 2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane?
The InChIKey is JIPSYLSNJHLZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl3F6/c6-2(4(9,10)11)1-3(7,8)5(12,13)14/h2H,1H2.
What are the key properties of 2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane?
2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane has a molecular weight of 283.43 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane is sourced from PubChem (CID 168864628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).