1-chloro-1,2-difluorocyclopropane

C3H3ClF2 — CID 69232639

IUPAC1-chloro-1,2-difluorocyclopropane
SMILESFC1CC1(F)Cl
InChIInChI=1S/C3H3ClF2/c4-3(6)1-2(3)5/h2H,1H2
InChIKeyFUUWRHUTCRXJPN-UHFFFAOYSA-N
MW112.51 g/mol
LogP1.63
Rot. Bonds

About 1-chloro-1,2-difluorocyclopropane

1-chloro-1,2-difluorocyclopropane (PubChem CID 69232639) has the molecular formula C3H3ClF2 and a molecular weight of 112.51 g/mol. Its IUPAC name is 1-chloro-1,2-difluorocyclopropane.

Molecular Properties

Compound Name1-chloro-1,2-difluorocyclopropane
PubChem CID69232639
Molecular FormulaC3H3ClF2
Molecular Weight112.51 g/mol
Exact Mass111.99
IUPAC Name1-chloro-1,2-difluorocyclopropane
SMILESFC1CC1(F)Cl
InChIInChI=1S/C3H3ClF2/c4-3(6)1-2(3)5/h2H,1H2
InChIKeyFUUWRHUTCRXJPN-UHFFFAOYSA-N
XLogP1.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.51
LogP ≤ 51.63
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-1,2-difluorocyclopropane?
The IUPAC name of 1-chloro-1,2-difluorocyclopropane (CID 69232639) is 1-chloro-1,2-difluorocyclopropane.
What is the SMILES notation for 1-chloro-1,2-difluorocyclopropane?
The canonical SMILES for 1-chloro-1,2-difluorocyclopropane is FC1CC1(F)Cl.
What is the InChIKey of 1-chloro-1,2-difluorocyclopropane?
The InChIKey is FUUWRHUTCRXJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClF2/c4-3(6)1-2(3)5/h2H,1H2.
What are the key properties of 1-chloro-1,2-difluorocyclopropane?
1-chloro-1,2-difluorocyclopropane has a molecular weight of 112.51 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2-difluorocyclopropane is sourced from PubChem (CID 69232639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).