1-chloro-2-fluoropropane

C3H6ClF — CID 12545922

IUPAC1-chloro-2-fluoropropane
SMILESCC(F)CCl
InChIInChI=1S/C3H6ClF/c1-3(5)2-4/h3H,2H2,1H3
InChIKeyWRETZNXZFYSOHE-UHFFFAOYSA-N
MW96.53 g/mol
LogP1.58
Rot. Bonds1

About 1-chloro-2-fluoropropane

1-chloro-2-fluoropropane (PubChem CID 12545922) has the molecular formula C3H6ClF and a molecular weight of 96.53 g/mol. Its IUPAC name is 1-chloro-2-fluoropropane.

Molecular Properties

Compound Name1-chloro-2-fluoropropane
PubChem CID12545922
Molecular FormulaC3H6ClF
Molecular Weight96.53 g/mol
Exact Mass96.01
IUPAC Name1-chloro-2-fluoropropane
SMILESCC(F)CCl
InChIInChI=1S/C3H6ClF/c1-3(5)2-4/h3H,2H2,1H3
InChIKeyWRETZNXZFYSOHE-UHFFFAOYSA-N
XLogP1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.53
LogP ≤ 51.58
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-chloro-2-fluoropropane?
The IUPAC name of 1-chloro-2-fluoropropane (CID 12545922) is 1-chloro-2-fluoropropane.
What is the SMILES notation for 1-chloro-2-fluoropropane?
The canonical SMILES for 1-chloro-2-fluoropropane is CC(F)CCl.
What is the InChIKey of 1-chloro-2-fluoropropane?
The InChIKey is WRETZNXZFYSOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClF/c1-3(5)2-4/h3H,2H2,1H3.
What are the key properties of 1-chloro-2-fluoropropane?
1-chloro-2-fluoropropane has a molecular weight of 96.53 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoropropane is sourced from PubChem (CID 12545922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).