2-methyl-4-(trifluoromethoxy)pyrrolidine

C6H10F3NO — CID 68562745

IUPAC2-methyl-4-(trifluoromethoxy)pyrrolidine
SMILESCC1CC(OC(F)(F)F)CN1
InChIInChI=1S/C6H10F3NO/c1-4-2-5(3-10-4)11-6(7,8)9/h4-5,10H,2-3H2,1H3
InChIKeyCAIGQVKBXRHKIY-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.27
Rot. Bonds1

About 2-methyl-4-(trifluoromethoxy)pyrrolidine

2-methyl-4-(trifluoromethoxy)pyrrolidine (PubChem CID 68562745) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethoxy)pyrrolidine.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethoxy)pyrrolidine
PubChem CID68562745
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name2-methyl-4-(trifluoromethoxy)pyrrolidine
SMILESCC1CC(OC(F)(F)F)CN1
InChIInChI=1S/C6H10F3NO/c1-4-2-5(3-10-4)11-6(7,8)9/h4-5,10H,2-3H2,1H3
InChIKeyCAIGQVKBXRHKIY-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethoxy)pyrrolidine?
The IUPAC name of 2-methyl-4-(trifluoromethoxy)pyrrolidine (CID 68562745) is 2-methyl-4-(trifluoromethoxy)pyrrolidine.
What is the SMILES notation for 2-methyl-4-(trifluoromethoxy)pyrrolidine?
The canonical SMILES for 2-methyl-4-(trifluoromethoxy)pyrrolidine is CC1CC(OC(F)(F)F)CN1.
What is the InChIKey of 2-methyl-4-(trifluoromethoxy)pyrrolidine?
The InChIKey is CAIGQVKBXRHKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-4-2-5(3-10-4)11-6(7,8)9/h4-5,10H,2-3H2,1H3.
What are the key properties of 2-methyl-4-(trifluoromethoxy)pyrrolidine?
2-methyl-4-(trifluoromethoxy)pyrrolidine has a molecular weight of 169.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethoxy)pyrrolidine is sourced from PubChem (CID 68562745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).