1-methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine

C12H22F3NO — CID 177126186

IUPAC1-methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine
SMILESCC(C)OCC1C(CCC(F)(F)F)CCN1C
InChIInChI=1S/C12H22F3NO/c1-9(2)17-8-11-10(5-7-16(11)3)4-6-12(13,14)15/h9-11H,4-8H2,1-3H3
InChIKeyYWWMEKFICVYEQL-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.07
Rot. Bonds5

About 1-methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine

1-methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine (PubChem CID 177126186) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine
PubChem CID177126186
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine
SMILESCC(C)OCC1C(CCC(F)(F)F)CCN1C
InChIInChI=1S/C12H22F3NO/c1-9(2)17-8-11-10(5-7-16(11)3)4-6-12(13,14)15/h9-11H,4-8H2,1-3H3
InChIKeyYWWMEKFICVYEQL-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-2-(methoxymethyl)-1,4-di(propan-2-yl)pyrrolidine
CID 58778841
(2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine
CID 59611228
(4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine
CID 68089704
(2S,4S)-1,2-di(propan-2-yl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 68089705
(2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine
CID 89094451
6-Methyl-8-(2,2,2-trifluoroethyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 117608592
(6R)-6-methyl-8-(2,2,2-trifluoroethyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 117814010
2-(Methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615691
1-Ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615712
2-(2,2-Difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 130399562
2-(Methoxymethyl)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 130399588
(2R)-1-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 140929377

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine?
The IUPAC name of 1-methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine (CID 177126186) is 1-methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine.
What is the SMILES notation for 1-methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine?
The canonical SMILES for 1-methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine is CC(C)OCC1C(CCC(F)(F)F)CCN1C.
What is the InChIKey of 1-methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine?
The InChIKey is YWWMEKFICVYEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(2)17-8-11-10(5-7-16(11)3)4-6-12(13,14)15/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine?
1-methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine has a molecular weight of 253.31 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine is sourced from PubChem (CID 177126186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).