1,1-dichloro-2,2-difluorocyclopropane

C3H2Cl2F2 — CID 12637093

IUPAC1,1-dichloro-2,2-difluorocyclopropane
SMILESFC1(F)CC1(Cl)Cl
InChIInChI=1S/C3H2Cl2F2/c4-2(5)1-3(2,6)7/h1H2
InChIKeyJSBOUOFJZHSONN-UHFFFAOYSA-N
MW146.95 g/mol
LogP2.20
Rot. Bonds

About 1,1-dichloro-2,2-difluorocyclopropane

1,1-dichloro-2,2-difluorocyclopropane (PubChem CID 12637093) has the molecular formula C3H2Cl2F2 and a molecular weight of 146.95 g/mol. Its IUPAC name is 1,1-dichloro-2,2-difluorocyclopropane.

Molecular Properties

Compound Name1,1-dichloro-2,2-difluorocyclopropane
PubChem CID12637093
Molecular FormulaC3H2Cl2F2
Molecular Weight146.95 g/mol
Exact Mass145.95
IUPAC Name1,1-dichloro-2,2-difluorocyclopropane
SMILESFC1(F)CC1(Cl)Cl
InChIInChI=1S/C3H2Cl2F2/c4-2(5)1-3(2,6)7/h1H2
InChIKeyJSBOUOFJZHSONN-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.95
LogP ≤ 52.20
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 1,1-dichloro-2,2-difluorocyclopropane?
The IUPAC name of 1,1-dichloro-2,2-difluorocyclopropane (CID 12637093) is 1,1-dichloro-2,2-difluorocyclopropane.
What is the SMILES notation for 1,1-dichloro-2,2-difluorocyclopropane?
The canonical SMILES for 1,1-dichloro-2,2-difluorocyclopropane is FC1(F)CC1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2,2-difluorocyclopropane?
The InChIKey is JSBOUOFJZHSONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl2F2/c4-2(5)1-3(2,6)7/h1H2.
What are the key properties of 1,1-dichloro-2,2-difluorocyclopropane?
1,1-dichloro-2,2-difluorocyclopropane has a molecular weight of 146.95 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2,2-difluorocyclopropane is sourced from PubChem (CID 12637093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).