3-methoxy-3-(trifluoromethyl)pyrrolidine

C6H10F3NO — CID 54595516

IUPAC3-methoxy-3-(trifluoromethyl)pyrrolidine
SMILESCOC1(C(F)(F)F)CCNC1
InChIInChI=1S/C6H10F3NO/c1-11-5(6(7,8)9)2-3-10-4-5/h10H,2-4H2,1H3
InChIKeyKZMBLHMFRVHVQT-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.93
Rot. Bonds1

About 3-methoxy-3-(trifluoromethyl)pyrrolidine

3-methoxy-3-(trifluoromethyl)pyrrolidine (PubChem CID 54595516) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 3-methoxy-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name3-methoxy-3-(trifluoromethyl)pyrrolidine
PubChem CID54595516
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name3-methoxy-3-(trifluoromethyl)pyrrolidine
SMILESCOC1(C(F)(F)F)CCNC1
InChIInChI=1S/C6H10F3NO/c1-11-5(6(7,8)9)2-3-10-4-5/h10H,2-4H2,1H3
InChIKeyKZMBLHMFRVHVQT-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 3-methoxy-3-(trifluoromethyl)pyrrolidine (CID 54595516) is 3-methoxy-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 3-methoxy-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 3-methoxy-3-(trifluoromethyl)pyrrolidine is COC1(C(F)(F)F)CCNC1.
What is the InChIKey of 3-methoxy-3-(trifluoromethyl)pyrrolidine?
The InChIKey is KZMBLHMFRVHVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-11-5(6(7,8)9)2-3-10-4-5/h10H,2-4H2,1H3.
What are the key properties of 3-methoxy-3-(trifluoromethyl)pyrrolidine?
3-methoxy-3-(trifluoromethyl)pyrrolidine has a molecular weight of 169.15 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 54595516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).