3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine

C7H12F3NO — CID 178127838

IUPAC3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
SMILESCC1(OCC(F)(F)F)CCNC1
InChIInChI=1S/C7H12F3NO/c1-6(2-3-11-4-6)12-5-7(8,9)10/h11H,2-5H2,1H3
InChIKeySZRHHQDNRIGMJV-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.32
Rot. Bonds2

About 3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine

3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine (PubChem CID 178127838) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine.

Molecular Properties

Compound Name3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
PubChem CID178127838
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
SMILESCC1(OCC(F)(F)F)CCNC1
InChIInChI=1S/C7H12F3NO/c1-6(2-3-11-4-6)12-5-7(8,9)10/h11H,2-5H2,1H3
InChIKeySZRHHQDNRIGMJV-UHFFFAOYSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-methyl-3-(2,2,2-trifluoroethoxy)azetidine
CID 178127794
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CID 107385578
3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine
CID 83066940
(3S)-3-methoxy-3-methylpyrrolidine
CID 98774544
2-methyl-1-(4-methylpiperidin-4-yl)oxypropan-2-ol
CID 130599519
2-(3-methylpiperidin-3-yl)oxyethanamine
CID 143190945
4-(2,2-difluoroethoxy)-4-methylpiperidine
CID 130599539
3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride
CID 105443984
3-but-2-ynoxy-3-methylpiperidine
CID 107385814
3-(2-ethylsulfanylethoxy)-3-methylpiperidine
CID 107385607
4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine
CID 106981968
3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine
CID 130531947

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine?
The IUPAC name of 3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine (CID 178127838) is 3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine.
What is the SMILES notation for 3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine?
The canonical SMILES for 3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine is CC1(OCC(F)(F)F)CCNC1.
What is the InChIKey of 3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine?
The InChIKey is SZRHHQDNRIGMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-6(2-3-11-4-6)12-5-7(8,9)10/h11H,2-5H2,1H3.
What are the key properties of 3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine?
3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine has a molecular weight of 183.17 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine is sourced from PubChem (CID 178127838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).