3,3-dichloro-1,1,1-trifluoropropane

C3H3Cl2F3 — CID 10002

IUPAC3,3-dichloro-1,1,1-trifluoropropane
SMILESFC(F)(F)CC(Cl)Cl
InChIInChI=1S/C3H3Cl2F3/c4-2(5)1-3(6,7)8/h2H,1H2
InChIKeyPLTIOZOVDUUXDQ-UHFFFAOYSA-N
MW166.96 g/mol
LogP2.74
Rot. Bonds1

About 3,3-dichloro-1,1,1-trifluoropropane

3,3-dichloro-1,1,1-trifluoropropane (PubChem CID 10002) has the molecular formula C3H3Cl2F3 and a molecular weight of 166.96 g/mol. Its IUPAC name is 3,3-dichloro-1,1,1-trifluoropropane.

Molecular Properties

Compound Name3,3-dichloro-1,1,1-trifluoropropane
PubChem CID10002
Molecular FormulaC3H3Cl2F3
Molecular Weight166.96 g/mol
Exact Mass165.96
IUPAC Name3,3-dichloro-1,1,1-trifluoropropane
SMILESFC(F)(F)CC(Cl)Cl
InChIInChI=1S/C3H3Cl2F3/c4-2(5)1-3(6,7)8/h2H,1H2
InChIKeyPLTIOZOVDUUXDQ-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.96
LogP ≤ 52.74
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-dichloro-1,1,1-trifluoropropane?
The IUPAC name of 3,3-dichloro-1,1,1-trifluoropropane (CID 10002) is 3,3-dichloro-1,1,1-trifluoropropane.
What is the SMILES notation for 3,3-dichloro-1,1,1-trifluoropropane?
The canonical SMILES for 3,3-dichloro-1,1,1-trifluoropropane is FC(F)(F)CC(Cl)Cl.
What is the InChIKey of 3,3-dichloro-1,1,1-trifluoropropane?
The InChIKey is PLTIOZOVDUUXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl2F3/c4-2(5)1-3(6,7)8/h2H,1H2.
What are the key properties of 3,3-dichloro-1,1,1-trifluoropropane?
3,3-dichloro-1,1,1-trifluoropropane has a molecular weight of 166.96 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-1,1,1-trifluoropropane is sourced from PubChem (CID 10002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).