1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane

C8H12ClF3 — CID 121273944

IUPAC1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C1CC1CCCl)C(F)(F)F
InChIInChI=1S/C8H12ClF3/c1-5(8(10,11)12)7-4-6(7)2-3-9/h5-7H,2-4H2,1H3
InChIKeyKQDFEDYNGYBNGN-UHFFFAOYSA-N
MW200.63 g/mol
LogP3.45
Rot. Bonds3

About 1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane

1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane (PubChem CID 121273944) has the molecular formula C8H12ClF3 and a molecular weight of 200.63 g/mol. Its IUPAC name is 1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane.

Molecular Properties

Compound Name1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
PubChem CID121273944
Molecular FormulaC8H12ClF3
Molecular Weight200.63 g/mol
Exact Mass200.06
IUPAC Name1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C1CC1CCCl)C(F)(F)F
InChIInChI=1S/C8H12ClF3/c1-5(8(10,11)12)7-4-6(7)2-3-9/h5-7H,2-4H2,1H3
InChIKeyKQDFEDYNGYBNGN-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)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 1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The IUPAC name of 1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane (CID 121273944) is 1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane.
What is the SMILES notation for 1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The canonical SMILES for 1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane is CC(C1CC1CCCl)C(F)(F)F.
What is the InChIKey of 1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The InChIKey is KQDFEDYNGYBNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF3/c1-5(8(10,11)12)7-4-6(7)2-3-9/h5-7H,2-4H2,1H3.
What are the key properties of 1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane has a molecular weight of 200.63 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane is sourced from PubChem (CID 121273944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).