3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine

C12H14F3N — CID 123229345

IUPAC3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1CCN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H14F3N/c1-9-5-6-16(8-9)11-4-2-3-10(7-11)12(13,14)15/h2-4,7,9H,5-6,8H2,1H3
InChIKeyABLFXKPHFOKYAO-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.55
Rot. Bonds1

About 3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine

3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 123229345) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID123229345
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1CCN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H14F3N/c1-9-5-6-16(8-9)11-4-2-3-10(7-11)12(13,14)15/h2-4,7,9H,5-6,8H2,1H3
InChIKeyABLFXKPHFOKYAO-UHFFFAOYSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 51063840
N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315146
1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine
CID 154771446
3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine
CID 130392683
N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513041
N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine
CID 117002935
(2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 141425766
2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 21096919
4,4,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-1,5-diazocane
CID 146522074
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-[4-[1-[3-(trifluoromethyl)phenyl]piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 11703667

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine (CID 123229345) is 3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine is CC1CCN(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is ABLFXKPHFOKYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-9-5-6-16(8-9)11-4-2-3-10(7-11)12(13,14)15/h2-4,7,9H,5-6,8H2,1H3.
What are the key properties of 3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine?
3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 229.25 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 123229345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).