1,2,2-trichloro-1,1,3,3,3-pentafluoropropane

C3Cl3F5 — CID 15335

IUPAC1,2,2-trichloro-1,1,3,3,3-pentafluoropropane
SMILESFC(F)(F)C(Cl)(Cl)C(F)(F)Cl
InChIInChI=1S/C3Cl3F5/c4-1(5,2(6,7)8)3(9,10)11
InChIKeySFCFZNZZFJRHSD-UHFFFAOYSA-N
MW237.38 g/mol
LogP3.55
Rot. Bonds1

About 1,2,2-trichloro-1,1,3,3,3-pentafluoropropane

1,2,2-trichloro-1,1,3,3,3-pentafluoropropane (PubChem CID 15335) has the molecular formula C3Cl3F5 and a molecular weight of 237.38 g/mol. Its IUPAC name is 1,2,2-trichloro-1,1,3,3,3-pentafluoropropane.

Molecular Properties

Compound Name1,2,2-trichloro-1,1,3,3,3-pentafluoropropane
PubChem CID15335
Molecular FormulaC3Cl3F5
Molecular Weight237.38 g/mol
Exact Mass235.90
IUPAC Name1,2,2-trichloro-1,1,3,3,3-pentafluoropropane
SMILESFC(F)(F)C(Cl)(Cl)C(F)(F)Cl
InChIInChI=1S/C3Cl3F5/c4-1(5,2(6,7)8)3(9,10)11
InChIKeySFCFZNZZFJRHSD-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.38
LogP ≤ 53.55
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

2,2,3-Trichloroheptafluorobutane
CID 78977
Propane, 1,2-dichloro-1,1,2,3,3,3-hexafluoro-
CID 61193
Propane, 1,2,3-trichloro-1,1,2,3,3-pentafluoro-
CID 66155
2,2,3,3-Tetrachlorohexafluorobutane
CID 67811
1,1,1,3-Tetrachloro-2,2,3,3-tetrafluoropropane
CID 61288
1,3-Dichloro-1,1,2,2,3,3-hexafluoropropane
CID 69580
1,1,3-Trichloro-1,2,2,3,3-pentafluoropropane
CID 74244
2,3-Dichloro-1,1,1,2,3,4,4,4-octafluorobutane
CID 78982
1,2,2,3-Tetrachloro-1,1,3,3-tetrafluoropropane
CID 69615
1,1,1-Trichloro-2,2,3,3,3-pentafluoropropane
CID 61340
2,2-Dichloro-1,1,1,3,3,3-hexafluoropropane
CID 74243
1,1,2,2,3-Pentachloro-1,3,3-trifluoro-propane
CID 12574735

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trichloro-1,1,3,3,3-pentafluoropropane?
The IUPAC name of 1,2,2-trichloro-1,1,3,3,3-pentafluoropropane (CID 15335) is 1,2,2-trichloro-1,1,3,3,3-pentafluoropropane.
What is the SMILES notation for 1,2,2-trichloro-1,1,3,3,3-pentafluoropropane?
The canonical SMILES for 1,2,2-trichloro-1,1,3,3,3-pentafluoropropane is FC(F)(F)C(Cl)(Cl)C(F)(F)Cl.
What is the InChIKey of 1,2,2-trichloro-1,1,3,3,3-pentafluoropropane?
The InChIKey is SFCFZNZZFJRHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl3F5/c4-1(5,2(6,7)8)3(9,10)11.
What are the key properties of 1,2,2-trichloro-1,1,3,3,3-pentafluoropropane?
1,2,2-trichloro-1,1,3,3,3-pentafluoropropane has a molecular weight of 237.38 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trichloro-1,1,3,3,3-pentafluoropropane is sourced from PubChem (CID 15335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).