1-chloro-2,3-difluoropropane

C3H5ClF2 — CID 12927176

IUPAC1-chloro-2,3-difluoropropane
SMILESFCC(F)CCl
InChIInChI=1S/C3H5ClF2/c4-1-3(6)2-5/h3H,1-2H2
InChIKeyDYSDJMJINZRFLN-UHFFFAOYSA-N
MW114.52 g/mol
LogP1.53
Rot. Bonds2

About 1-chloro-2,3-difluoropropane

1-chloro-2,3-difluoropropane (PubChem CID 12927176) has the molecular formula C3H5ClF2 and a molecular weight of 114.52 g/mol. Its IUPAC name is 1-chloro-2,3-difluoropropane.

Molecular Properties

Compound Name1-chloro-2,3-difluoropropane
PubChem CID12927176
Molecular FormulaC3H5ClF2
Molecular Weight114.52 g/mol
Exact Mass114.00
IUPAC Name1-chloro-2,3-difluoropropane
SMILESFCC(F)CCl
InChIInChI=1S/C3H5ClF2/c4-1-3(6)2-5/h3H,1-2H2
InChIKeyDYSDJMJINZRFLN-UHFFFAOYSA-N
XLogP1.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.52
LogP ≤ 51.53
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

3-Chloro-1,1,1-trifluoropropane
CID 10000
1-Chloro-2,2-difluoropropane
CID 67896
1,3-Dichloro-2-fluoropropane
CID 12927174
1,3-Dichloro-1,1-difluoropropane
CID 69959
1-Chloro-3-fluoropropane
CID 11829371
1-Chloro-2-fluoropropane
CID 12545922
Propane, 1-chloro-1-fluoro-
CID 150183
1,3-Dichloro-2,2-difluoropropane
CID 10855631
2-Chloro-1,3-difluoropropane
CID 557081
3-Chloro-1,1-difluoropropane
CID 120211
1-Chloro-2,2,3-trifluoropropane
CID 185854
1,3-Dichloro-1,2-difluoropropane
CID 14000522

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-difluoropropane?
The IUPAC name of 1-chloro-2,3-difluoropropane (CID 12927176) is 1-chloro-2,3-difluoropropane.
What is the SMILES notation for 1-chloro-2,3-difluoropropane?
The canonical SMILES for 1-chloro-2,3-difluoropropane is FCC(F)CCl.
What is the InChIKey of 1-chloro-2,3-difluoropropane?
The InChIKey is DYSDJMJINZRFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClF2/c4-1-3(6)2-5/h3H,1-2H2.
What are the key properties of 1-chloro-2,3-difluoropropane?
1-chloro-2,3-difluoropropane has a molecular weight of 114.52 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3-difluoropropane is sourced from PubChem (CID 12927176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).