3-chloro-1-ethyl-2,2-dimethyl-1-(trifluoromethyl)cyclopropane

C8H12ClF3 — CID 121274029

IUPAC3-chloro-1-ethyl-2,2-dimethyl-1-(trifluoromethyl)cyclopropane
SMILESCCC1(C(F)(F)F)C(Cl)C1(C)C
InChIInChI=1S/C8H12ClF3/c1-4-7(8(10,11)12)5(9)6(7,2)3/h5H,4H2,1-3H3
InChIKeyYBLIEOZQGNSWIZ-UHFFFAOYSA-N
MW200.63 g/mol
LogP3.59
Rot. Bonds1

About 3-chloro-1-ethyl-2,2-dimethyl-1-(trifluoromethyl)cyclopropane

3-chloro-1-ethyl-2,2-dimethyl-1-(trifluoromethyl)cyclopropane (PubChem CID 121274029) has the molecular formula C8H12ClF3 and a molecular weight of 200.63 g/mol. Its IUPAC name is 3-chloro-1-ethyl-2,2-dimethyl-1-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name3-chloro-1-ethyl-2,2-dimethyl-1-(trifluoromethyl)cyclopropane
PubChem CID121274029
Molecular FormulaC8H12ClF3
Molecular Weight200.63 g/mol
Exact Mass200.06
IUPAC Name3-chloro-1-ethyl-2,2-dimethyl-1-(trifluoromethyl)cyclopropane
SMILESCCC1(C(F)(F)F)C(Cl)C1(C)C
InChIInChI=1S/C8H12ClF3/c1-4-7(8(10,11)12)5(9)6(7,2)3/h5H,4H2,1-3H3
InChIKeyYBLIEOZQGNSWIZ-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 53.59
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 3-chloro-1-ethyl-2,2-dimethyl-1-(trifluoromethyl)cyclopropane?
The IUPAC name of 3-chloro-1-ethyl-2,2-dimethyl-1-(trifluoromethyl)cyclopropane (CID 121274029) is 3-chloro-1-ethyl-2,2-dimethyl-1-(trifluoromethyl)cyclopropane.
What is the SMILES notation for 3-chloro-1-ethyl-2,2-dimethyl-1-(trifluoromethyl)cyclopropane?
The canonical SMILES for 3-chloro-1-ethyl-2,2-dimethyl-1-(trifluoromethyl)cyclopropane is CCC1(C(F)(F)F)C(Cl)C1(C)C.
What is the InChIKey of 3-chloro-1-ethyl-2,2-dimethyl-1-(trifluoromethyl)cyclopropane?
The InChIKey is YBLIEOZQGNSWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF3/c1-4-7(8(10,11)12)5(9)6(7,2)3/h5H,4H2,1-3H3.
What are the key properties of 3-chloro-1-ethyl-2,2-dimethyl-1-(trifluoromethyl)cyclopropane?
3-chloro-1-ethyl-2,2-dimethyl-1-(trifluoromethyl)cyclopropane has a molecular weight of 200.63 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethyl-2,2-dimethyl-1-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 121274029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).