3,3,4-trichloro-1,1,1-trifluoropentane

C5H6Cl3F3 — CID 167088156

IUPAC3,3,4-trichloro-1,1,1-trifluoropentane
SMILESCC(Cl)C(Cl)(Cl)CC(F)(F)F
InChIInChI=1S/C5H6Cl3F3/c1-3(6)4(7,8)2-5(9,10)11/h3H,2H2,1H3
InChIKeyFXTHIHCVQXYHIZ-UHFFFAOYSA-N
MW229.46 g/mol
LogP3.74
Rot. Bonds2

About 3,3,4-trichloro-1,1,1-trifluoropentane

3,3,4-trichloro-1,1,1-trifluoropentane (PubChem CID 167088156) has the molecular formula C5H6Cl3F3 and a molecular weight of 229.46 g/mol. Its IUPAC name is 3,3,4-trichloro-1,1,1-trifluoropentane.

Molecular Properties

Compound Name3,3,4-trichloro-1,1,1-trifluoropentane
PubChem CID167088156
Molecular FormulaC5H6Cl3F3
Molecular Weight229.46 g/mol
Exact Mass227.95
IUPAC Name3,3,4-trichloro-1,1,1-trifluoropentane
SMILESCC(Cl)C(Cl)(Cl)CC(F)(F)F
InChIInChI=1S/C5H6Cl3F3/c1-3(6)4(7,8)2-5(9,10)11/h3H,2H2,1H3
InChIKeyFXTHIHCVQXYHIZ-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trichloro-1,1,1-trifluoropentane?
The IUPAC name of 3,3,4-trichloro-1,1,1-trifluoropentane (CID 167088156) is 3,3,4-trichloro-1,1,1-trifluoropentane.
What is the SMILES notation for 3,3,4-trichloro-1,1,1-trifluoropentane?
The canonical SMILES for 3,3,4-trichloro-1,1,1-trifluoropentane is CC(Cl)C(Cl)(Cl)CC(F)(F)F.
What is the InChIKey of 3,3,4-trichloro-1,1,1-trifluoropentane?
The InChIKey is FXTHIHCVQXYHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl3F3/c1-3(6)4(7,8)2-5(9,10)11/h3H,2H2,1H3.
What are the key properties of 3,3,4-trichloro-1,1,1-trifluoropentane?
3,3,4-trichloro-1,1,1-trifluoropentane has a molecular weight of 229.46 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trichloro-1,1,1-trifluoropentane is sourced from PubChem (CID 167088156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).