2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane

C7H10ClF3 — CID 121274013

IUPAC2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane
SMILESCCC1(C(F)(F)F)CC1CCl
InChIInChI=1S/C7H10ClF3/c1-2-6(7(9,10)11)3-5(6)4-8/h5H,2-4H2,1H3
InChIKeyYDBVILOECPEMAM-UHFFFAOYSA-N
MW186.60 g/mol
LogP3.20
Rot. Bonds2

About 2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane

2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane (PubChem CID 121274013) has the molecular formula C7H10ClF3 and a molecular weight of 186.60 g/mol. Its IUPAC name is 2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane
PubChem CID121274013
Molecular FormulaC7H10ClF3
Molecular Weight186.60 g/mol
Exact Mass186.04
IUPAC Name2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane
SMILESCCC1(C(F)(F)F)CC1CCl
InChIInChI=1S/C7H10ClF3/c1-2-6(7(9,10)11)3-5(6)4-8/h5H,2-4H2,1H3
InChIKeyYDBVILOECPEMAM-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane?
The IUPAC name of 2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane (CID 121274013) is 2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane.
What is the SMILES notation for 2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane?
The canonical SMILES for 2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane is CCC1(C(F)(F)F)CC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane?
The InChIKey is YDBVILOECPEMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF3/c1-2-6(7(9,10)11)3-5(6)4-8/h5H,2-4H2,1H3.
What are the key properties of 2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane?
2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane has a molecular weight of 186.60 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-ethyl-1-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 121274013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).