3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine

C8H14F3N — CID 159310583

IUPAC3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC(C)(F)C(F)(F)C1
InChIInChI=1S/C8H14F3N/c1-6(2)12-4-7(3,9)8(10,11)5-12/h6H,4-5H2,1-3H3
InChIKeyJATJSBOTPDWCAM-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.07
Rot. Bonds1

About 3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine

3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine (PubChem CID 159310583) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine
PubChem CID159310583
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC(C)(F)C(F)(F)C1
InChIInChI=1S/C8H14F3N/c1-6(2)12-4-7(3,9)8(10,11)5-12/h6H,4-5H2,1-3H3
InChIKeyJATJSBOTPDWCAM-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,8-difluoro-6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 157032814
6-fluoro-6-methyl-2-propan-2-yl-2-azaspiro[3.3]heptane
CID 156813146
ethane;2,2,6,6-tetramethyl-4-propan-2-ylmorpholine
CID 178173229
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
CID 178173049
3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine
CID 166826440
3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 159989792
(3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 170578237
ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol
CID 168906490
3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine
CID 165149910
ethane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 160577480

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine (CID 159310583) is 3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine is CC(C)N1CC(C)(F)C(F)(F)C1.
What is the InChIKey of 3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is JATJSBOTPDWCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-6(2)12-4-7(3,9)8(10,11)5-12/h6H,4-5H2,1-3H3.
What are the key properties of 3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine?
3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 181.20 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159310583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).