1,1,2-trifluoro-3-methylcyclopropane

C4H5F3 — CID 54170819

IUPAC1,1,2-trifluoro-3-methylcyclopropane
SMILESCC1C(F)C1(F)F
InChIInChI=1S/C4H5F3/c1-2-3(5)4(2,6)7/h2-3H,1H3
InChIKeyFBBTVEDXTKKOAP-UHFFFAOYSA-N
MW110.08 g/mol
LogP1.61
Rot. Bonds

About 1,1,2-trifluoro-3-methylcyclopropane

1,1,2-trifluoro-3-methylcyclopropane (PubChem CID 54170819) has the molecular formula C4H5F3 and a molecular weight of 110.08 g/mol. Its IUPAC name is 1,1,2-trifluoro-3-methylcyclopropane.

Molecular Properties

Compound Name1,1,2-trifluoro-3-methylcyclopropane
PubChem CID54170819
Molecular FormulaC4H5F3
Molecular Weight110.08 g/mol
Exact Mass110.03
IUPAC Name1,1,2-trifluoro-3-methylcyclopropane
SMILESCC1C(F)C1(F)F
InChIInChI=1S/C4H5F3/c1-2-3(5)4(2,6)7/h2-3H,1H3
InChIKeyFBBTVEDXTKKOAP-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-3-methylcyclopropane?
The IUPAC name of 1,1,2-trifluoro-3-methylcyclopropane (CID 54170819) is 1,1,2-trifluoro-3-methylcyclopropane.
What is the SMILES notation for 1,1,2-trifluoro-3-methylcyclopropane?
The canonical SMILES for 1,1,2-trifluoro-3-methylcyclopropane is CC1C(F)C1(F)F.
What is the InChIKey of 1,1,2-trifluoro-3-methylcyclopropane?
The InChIKey is FBBTVEDXTKKOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3/c1-2-3(5)4(2,6)7/h2-3H,1H3.
What are the key properties of 1,1,2-trifluoro-3-methylcyclopropane?
1,1,2-trifluoro-3-methylcyclopropane has a molecular weight of 110.08 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-3-methylcyclopropane is sourced from PubChem (CID 54170819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).