trifluoromethylcyclopropane

C4H5F3 — CID 14532111

IUPACtrifluoromethylcyclopropane
SMILESFC(F)(F)C1CC1
InChIInChI=1S/C4H5F3/c5-4(6,7)3-1-2-3/h3H,1-2H2
InChIKeyJFHAGWAOOHJDEP-UHFFFAOYSA-N
MW110.08 g/mol
LogP1.96
Rot. Bonds

About trifluoromethylcyclopropane

trifluoromethylcyclopropane (PubChem CID 14532111) has the molecular formula C4H5F3 and a molecular weight of 110.08 g/mol. Its IUPAC name is trifluoromethylcyclopropane.

Molecular Properties

Compound Nametrifluoromethylcyclopropane
PubChem CID14532111
Molecular FormulaC4H5F3
Molecular Weight110.08 g/mol
Exact Mass110.03
IUPAC Nametrifluoromethylcyclopropane
SMILESFC(F)(F)C1CC1
InChIInChI=1S/C4H5F3/c5-4(6,7)3-1-2-3/h3H,1-2H2
InChIKeyJFHAGWAOOHJDEP-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.08
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trifluoromethylcyclopropane?
The IUPAC name of trifluoromethylcyclopropane (CID 14532111) is trifluoromethylcyclopropane.
What is the SMILES notation for trifluoromethylcyclopropane?
The canonical SMILES for trifluoromethylcyclopropane is FC(F)(F)C1CC1.
What is the InChIKey of trifluoromethylcyclopropane?
The InChIKey is JFHAGWAOOHJDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3/c5-4(6,7)3-1-2-3/h3H,1-2H2.
What are the key properties of trifluoromethylcyclopropane?
trifluoromethylcyclopropane has a molecular weight of 110.08 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylcyclopropane is sourced from PubChem (CID 14532111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).