1,3-dichloro-2-fluoropropane

C3H5Cl2F — CID 12927174

IUPAC1,3-dichloro-2-fluoropropane
SMILESFC(CCl)CCl
InChIInChI=1S/C3H5Cl2F/c4-1-3(6)2-5/h3H,1-2H2
InChIKeyVWHNBEKOOBPTLK-UHFFFAOYSA-N
MW130.98 g/mol
LogP1.80
Rot. Bonds2

About 1,3-dichloro-2-fluoropropane

1,3-dichloro-2-fluoropropane (PubChem CID 12927174) has the molecular formula C3H5Cl2F and a molecular weight of 130.98 g/mol. Its IUPAC name is 1,3-dichloro-2-fluoropropane.

Molecular Properties

Compound Name1,3-dichloro-2-fluoropropane
PubChem CID12927174
Molecular FormulaC3H5Cl2F
Molecular Weight130.98 g/mol
Exact Mass129.98
IUPAC Name1,3-dichloro-2-fluoropropane
SMILESFC(CCl)CCl
InChIInChI=1S/C3H5Cl2F/c4-1-3(6)2-5/h3H,1-2H2
InChIKeyVWHNBEKOOBPTLK-UHFFFAOYSA-N
XLogP1.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.98
LogP ≤ 51.80
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 1,3-dichloro-2-fluoropropane?
The IUPAC name of 1,3-dichloro-2-fluoropropane (CID 12927174) is 1,3-dichloro-2-fluoropropane.
What is the SMILES notation for 1,3-dichloro-2-fluoropropane?
The canonical SMILES for 1,3-dichloro-2-fluoropropane is FC(CCl)CCl.
What is the InChIKey of 1,3-dichloro-2-fluoropropane?
The InChIKey is VWHNBEKOOBPTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl2F/c4-1-3(6)2-5/h3H,1-2H2.
What are the key properties of 1,3-dichloro-2-fluoropropane?
1,3-dichloro-2-fluoropropane has a molecular weight of 130.98 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-fluoropropane is sourced from PubChem (CID 12927174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).