3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine

C9H16F3N — CID 135165727

IUPAC3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)N1CCC(C)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3N/c1-7(2)13-5-4-8(3,6-13)9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyGEUVLOUINAHWOF-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.67
Rot. Bonds1

About 3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine

3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine (PubChem CID 135165727) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
PubChem CID135165727
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)N1CCC(C)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3N/c1-7(2)13-5-4-8(3,6-13)9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyGEUVLOUINAHWOF-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine
CID 167200051
6-propan-2-yl-1,6-diazaspiro[2.4]heptane
CID 155640500
3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine
CID 166826440
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256
(3S)-N,3-dimethyl-1-propan-2-ylpyrrolidin-3-amine
CID 166707515
2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
CID 170740276
ethane;(3R)-3-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 142616980
(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 83914161
1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine
CID 118031425
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine
CID 165121785
1,3-di(propan-2-yl)pyrrolidin-3-ol
CID 171831461

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine (CID 135165727) is 3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine is CC(C)N1CCC(C)(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is GEUVLOUINAHWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-7(2)13-5-4-8(3,6-13)9(10,11)12/h7H,4-6H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine?
3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 195.23 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 135165727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).