1,1,1-trichloro-3,3-difluoropropane

C3H3Cl3F2 — CID 11745287

IUPAC1,1,1-trichloro-3,3-difluoropropane
SMILESFC(F)CC(Cl)(Cl)Cl
InChIInChI=1S/C3H3Cl3F2/c4-3(5,6)1-2(7)8/h2H,1H2
InChIKeyPIVDLNXCAOPPPX-UHFFFAOYSA-N
MW183.41 g/mol
LogP3.01
Rot. Bonds1

About 1,1,1-trichloro-3,3-difluoropropane

1,1,1-trichloro-3,3-difluoropropane (PubChem CID 11745287) has the molecular formula C3H3Cl3F2 and a molecular weight of 183.41 g/mol. Its IUPAC name is 1,1,1-trichloro-3,3-difluoropropane.

Molecular Properties

Compound Name1,1,1-trichloro-3,3-difluoropropane
PubChem CID11745287
Molecular FormulaC3H3Cl3F2
Molecular Weight183.41 g/mol
Exact Mass181.93
IUPAC Name1,1,1-trichloro-3,3-difluoropropane
SMILESFC(F)CC(Cl)(Cl)Cl
InChIInChI=1S/C3H3Cl3F2/c4-3(5,6)1-2(7)8/h2H,1H2
InChIKeyPIVDLNXCAOPPPX-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.41
LogP ≤ 53.01
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-3,3-difluoropropane?
The IUPAC name of 1,1,1-trichloro-3,3-difluoropropane (CID 11745287) is 1,1,1-trichloro-3,3-difluoropropane.
What is the SMILES notation for 1,1,1-trichloro-3,3-difluoropropane?
The canonical SMILES for 1,1,1-trichloro-3,3-difluoropropane is FC(F)CC(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1-trichloro-3,3-difluoropropane?
The InChIKey is PIVDLNXCAOPPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl3F2/c4-3(5,6)1-2(7)8/h2H,1H2.
What are the key properties of 1,1,1-trichloro-3,3-difluoropropane?
1,1,1-trichloro-3,3-difluoropropane has a molecular weight of 183.41 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trichloro-3,3-difluoropropane is sourced from PubChem (CID 11745287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).