1,1,1-trichloro-2-fluoropropane

C3H4Cl3F — CID 23208118

IUPAC1,1,1-trichloro-2-fluoropropane
SMILESCC(F)C(Cl)(Cl)Cl
InChIInChI=1S/C3H4Cl3F/c1-2(7)3(4,5)6/h2H,1H3
InChIKeyBWUJRFNOGLDTII-UHFFFAOYSA-N
MW165.42 g/mol
LogP2.71
Rot. Bonds

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

1,1,1-trichloro-2-fluoropropane (PubChem CID 23208118) has the molecular formula C3H4Cl3F and a molecular weight of 165.42 g/mol. Its IUPAC name is 1,1,1-trichloro-2-fluoropropane.

Molecular Properties

Compound Name1,1,1-trichloro-2-fluoropropane
PubChem CID23208118
Molecular FormulaC3H4Cl3F
Molecular Weight165.42 g/mol
Exact Mass163.94
IUPAC Name1,1,1-trichloro-2-fluoropropane
SMILESCC(F)C(Cl)(Cl)Cl
InChIInChI=1S/C3H4Cl3F/c1-2(7)3(4,5)6/h2H,1H3
InChIKeyBWUJRFNOGLDTII-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.42
LogP ≤ 52.71
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 1,1,1-trichloro-2-fluoropropane?
The IUPAC name of 1,1,1-trichloro-2-fluoropropane (CID 23208118) is 1,1,1-trichloro-2-fluoropropane.
What is the SMILES notation for 1,1,1-trichloro-2-fluoropropane?
The canonical SMILES for 1,1,1-trichloro-2-fluoropropane is CC(F)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1-trichloro-2-fluoropropane?
The InChIKey is BWUJRFNOGLDTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl3F/c1-2(7)3(4,5)6/h2H,1H3.
What are the key properties of 1,1,1-trichloro-2-fluoropropane?
1,1,1-trichloro-2-fluoropropane has a molecular weight of 165.42 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trichloro-2-fluoropropane is sourced from PubChem (CID 23208118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).