1-(chloromethyl)-1-(difluoromethyl)cyclopropane

C5H7ClF2 — CID 164517247

IUPAC1-(chloromethyl)-1-(difluoromethyl)cyclopropane
SMILESFC(F)C1(CCl)CC1
InChIInChI=1S/C5H7ClF2/c6-3-5(1-2-5)4(7)8/h4H,1-3H2
InChIKeyFSQPKHBIZFSKAV-UHFFFAOYSA-N
MW140.56 g/mol
LogP2.27
Rot. Bonds2

About 1-(chloromethyl)-1-(difluoromethyl)cyclopropane

1-(chloromethyl)-1-(difluoromethyl)cyclopropane (PubChem CID 164517247) has the molecular formula C5H7ClF2 and a molecular weight of 140.56 g/mol. Its IUPAC name is 1-(chloromethyl)-1-(difluoromethyl)cyclopropane.

Molecular Properties

Compound Name1-(chloromethyl)-1-(difluoromethyl)cyclopropane
PubChem CID164517247
Molecular FormulaC5H7ClF2
Molecular Weight140.56 g/mol
Exact Mass140.02
IUPAC Name1-(chloromethyl)-1-(difluoromethyl)cyclopropane
SMILESFC(F)C1(CCl)CC1
InChIInChI=1S/C5H7ClF2/c6-3-5(1-2-5)4(7)8/h4H,1-3H2
InChIKeyFSQPKHBIZFSKAV-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.56
LogP ≤ 52.27
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-(chloromethyl)-1-(difluoromethyl)cyclopropane?
The IUPAC name of 1-(chloromethyl)-1-(difluoromethyl)cyclopropane (CID 164517247) is 1-(chloromethyl)-1-(difluoromethyl)cyclopropane.
What is the SMILES notation for 1-(chloromethyl)-1-(difluoromethyl)cyclopropane?
The canonical SMILES for 1-(chloromethyl)-1-(difluoromethyl)cyclopropane is FC(F)C1(CCl)CC1.
What is the InChIKey of 1-(chloromethyl)-1-(difluoromethyl)cyclopropane?
The InChIKey is FSQPKHBIZFSKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClF2/c6-3-5(1-2-5)4(7)8/h4H,1-3H2.
What are the key properties of 1-(chloromethyl)-1-(difluoromethyl)cyclopropane?
1-(chloromethyl)-1-(difluoromethyl)cyclopropane has a molecular weight of 140.56 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-(difluoromethyl)cyclopropane is sourced from PubChem (CID 164517247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).