1,2-difluoro-1-(trifluoromethoxy)cyclopropane

C4H3F5O — CID 69418110

IUPAC1,2-difluoro-1-(trifluoromethoxy)cyclopropane
SMILESFC1CC1(F)OC(F)(F)F
InChIInChI=1S/C4H3F5O/c5-2-1-3(2,6)10-4(7,8)9/h2H,1H2
InChIKeyGPXKKDKFAFZYTM-UHFFFAOYSA-N
MW162.06 g/mol
LogP1.93
Rot. Bonds1

About 1,2-difluoro-1-(trifluoromethoxy)cyclopropane

1,2-difluoro-1-(trifluoromethoxy)cyclopropane (PubChem CID 69418110) has the molecular formula C4H3F5O and a molecular weight of 162.06 g/mol. Its IUPAC name is 1,2-difluoro-1-(trifluoromethoxy)cyclopropane.

Molecular Properties

Compound Name1,2-difluoro-1-(trifluoromethoxy)cyclopropane
PubChem CID69418110
Molecular FormulaC4H3F5O
Molecular Weight162.06 g/mol
Exact Mass162.01
IUPAC Name1,2-difluoro-1-(trifluoromethoxy)cyclopropane
SMILESFC1CC1(F)OC(F)(F)F
InChIInChI=1S/C4H3F5O/c5-2-1-3(2,6)10-4(7,8)9/h2H,1H2
InChIKeyGPXKKDKFAFZYTM-UHFFFAOYSA-N
XLogP1.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.06
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-difluoro-1-(trifluoromethoxy)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-difluoro-1-(trifluoromethoxy)cyclopropane?
The IUPAC name of 1,2-difluoro-1-(trifluoromethoxy)cyclopropane (CID 69418110) is 1,2-difluoro-1-(trifluoromethoxy)cyclopropane.
What is the SMILES notation for 1,2-difluoro-1-(trifluoromethoxy)cyclopropane?
The canonical SMILES for 1,2-difluoro-1-(trifluoromethoxy)cyclopropane is FC1CC1(F)OC(F)(F)F.
What is the InChIKey of 1,2-difluoro-1-(trifluoromethoxy)cyclopropane?
The InChIKey is GPXKKDKFAFZYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O/c5-2-1-3(2,6)10-4(7,8)9/h2H,1H2.
What are the key properties of 1,2-difluoro-1-(trifluoromethoxy)cyclopropane?
1,2-difluoro-1-(trifluoromethoxy)cyclopropane has a molecular weight of 162.06 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-1-(trifluoromethoxy)cyclopropane is sourced from PubChem (CID 69418110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).