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

C3H3Cl2F3 — CID 23209027

IUPAC1,1-dichloro-1,3,3-trifluoropropane
SMILESFC(F)CC(F)(Cl)Cl
InChIInChI=1S/C3H3Cl2F3/c4-3(5,8)1-2(6)7/h2H,1H2
InChIKeyDAVKAFRSHGCHSH-UHFFFAOYSA-N
MW166.96 g/mol
LogP2.74
Rot. Bonds2

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

1,1-dichloro-1,3,3-trifluoropropane (PubChem CID 23209027) has the molecular formula C3H3Cl2F3 and a molecular weight of 166.96 g/mol. Its IUPAC name is 1,1-dichloro-1,3,3-trifluoropropane.

Molecular Properties

Compound Name1,1-dichloro-1,3,3-trifluoropropane
PubChem CID23209027
Molecular FormulaC3H3Cl2F3
Molecular Weight166.96 g/mol
Exact Mass165.96
IUPAC Name1,1-dichloro-1,3,3-trifluoropropane
SMILESFC(F)CC(F)(Cl)Cl
InChIInChI=1S/C3H3Cl2F3/c4-3(5,8)1-2(6)7/h2H,1H2
InChIKeyDAVKAFRSHGCHSH-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Related Compounds

1,1-Dichloro-1,2,2-trifluoroethane
CID 13132
Propane, 1,1-dichloro-1,3,3,3-tetrafluoro-
CID 116662
Ethane, 1,1,1-trichloro-2,2-difluoro-
CID 67711
3,3-Dichloro-1,1,1-trifluoropropane
CID 10002
1,1-Dichloro-1,2,2,3,3-pentafluoropropane
CID 61627
1,1-Dichloro-1,2,3,3,3-pentafluoropropane
CID 62310
2,2-Dichloro-1,1,1,3,3-pentafluoropropane
CID 62315
1,3-Dichloro-1,1,2,3,3-pentafluoropropane
CID 62318
1,1,1-Trichloro-2,2,3,3-tetrafluoropropane
CID 67908
2,2-Dichloro-1,1,1-trifluoropropane
CID 81551
Propane, 2,2-dichloro-1,1,3,3-tetrafluoro-
CID 87262
1,1,1-Trichloro-3,3,3-trifluoropropane
CID 138934

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1,3,3-trifluoropropane?
The IUPAC name of 1,1-dichloro-1,3,3-trifluoropropane (CID 23209027) is 1,1-dichloro-1,3,3-trifluoropropane.
What is the SMILES notation for 1,1-dichloro-1,3,3-trifluoropropane?
The canonical SMILES for 1,1-dichloro-1,3,3-trifluoropropane is FC(F)CC(F)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-1,3,3-trifluoropropane?
The InChIKey is DAVKAFRSHGCHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl2F3/c4-3(5,8)1-2(6)7/h2H,1H2.
What are the key properties of 1,1-dichloro-1,3,3-trifluoropropane?
1,1-dichloro-1,3,3-trifluoropropane has a molecular weight of 166.96 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1,3,3-trifluoropropane is sourced from PubChem (CID 23209027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).