3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine

C13H16F3N — CID 121207524

IUPAC3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1(C)CNCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3N/c1-12(2)8-17-7-11(12)9-4-3-5-10(6-9)13(14,15)16/h3-6,11,17H,7-8H2,1-2H3
InChIKeyCFITVPOREJWMGQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.42
Rot. Bonds1

About 3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine

3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 121207524) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID121207524
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1(C)CNCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3N/c1-12(2)8-17-7-11(12)9-4-3-5-10(6-9)13(14,15)16/h3-6,11,17H,7-8H2,1-2H3
InChIKeyCFITVPOREJWMGQ-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 165476719
3,3-dimethyl-5-[3-(trifluoromethyl)phenyl]thiomorpholine
CID 66228533
4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 114486929
2-(methoxymethyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 117270769
1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 175894440
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
3,3-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,4-thiazinane 1-oxide
CID 66229470
(2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171194422
(1S,5S)-1-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 98043441
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
2-ethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one
CID 81416408
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine (CID 121207524) is 3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine is CC1(C)CNCC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is CFITVPOREJWMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-12(2)8-17-7-11(12)9-4-3-5-10(6-9)13(14,15)16/h3-6,11,17H,7-8H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine?
3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 243.27 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 121207524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).