1,2,3-trichloro-2-fluoropropane

C3H4Cl3F — CID 12641672

IUPAC1,2,3-trichloro-2-fluoropropane
SMILESFC(Cl)(CCl)CCl
InChIInChI=1S/C3H4Cl3F/c4-1-3(6,7)2-5/h1-2H2
InChIKeyLOROQHBGERJNAM-UHFFFAOYSA-N
MW165.42 g/mol
LogP2.37
Rot. Bonds2

About 1,2,3-trichloro-2-fluoropropane

1,2,3-trichloro-2-fluoropropane (PubChem CID 12641672) has the molecular formula C3H4Cl3F and a molecular weight of 165.42 g/mol. Its IUPAC name is 1,2,3-trichloro-2-fluoropropane.

Molecular Properties

Compound Name1,2,3-trichloro-2-fluoropropane
PubChem CID12641672
Molecular FormulaC3H4Cl3F
Molecular Weight165.42 g/mol
Exact Mass163.94
IUPAC Name1,2,3-trichloro-2-fluoropropane
SMILESFC(Cl)(CCl)CCl
InChIInChI=1S/C3H4Cl3F/c4-1-3(6,7)2-5/h1-2H2
InChIKeyLOROQHBGERJNAM-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.42
LogP ≤ 52.37
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 1,2,3-trichloro-2-fluoropropane?
The IUPAC name of 1,2,3-trichloro-2-fluoropropane (CID 12641672) is 1,2,3-trichloro-2-fluoropropane.
What is the SMILES notation for 1,2,3-trichloro-2-fluoropropane?
The canonical SMILES for 1,2,3-trichloro-2-fluoropropane is FC(Cl)(CCl)CCl.
What is the InChIKey of 1,2,3-trichloro-2-fluoropropane?
The InChIKey is LOROQHBGERJNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl3F/c4-1-3(6,7)2-5/h1-2H2.
What are the key properties of 1,2,3-trichloro-2-fluoropropane?
1,2,3-trichloro-2-fluoropropane has a molecular weight of 165.42 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloro-2-fluoropropane is sourced from PubChem (CID 12641672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).