2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine

C13H15F4N — CID 104688068

IUPAC2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
SMILESCC1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1
InChIInChI=1S/C13H15F4N/c1-12(5-2-6-18-12)8-9-3-4-11(14)10(7-9)13(15,16)17/h3-4,7,18H,2,5-6,8H2,1H3
InChIKeyALMDGEVGPAUUJW-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.53
Rot. Bonds2

About 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine

2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine (PubChem CID 104688068) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
PubChem CID104688068
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
SMILESCC1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1
InChIInChI=1S/C13H15F4N/c1-12(5-2-6-18-12)8-9-3-4-11(14)10(7-9)13(15,16)17/h3-4,7,18H,2,5-6,8H2,1H3
InChIKeyALMDGEVGPAUUJW-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
CID 124570451
2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine
CID 82923443
(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine
CID 124511306
(2S)-2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 124575827
(2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 124570457
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058938
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058979
2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride
CID 122156828
(2S)-2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine
CID 124515557
4-[(2-methylpyrrolidin-2-yl)methyl]pyridine
CID 66465987
2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine
CID 66466439
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine?
The IUPAC name of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine (CID 104688068) is 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine is CC1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1.
What is the InChIKey of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine?
The InChIKey is ALMDGEVGPAUUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N/c1-12(5-2-6-18-12)8-9-3-4-11(14)10(7-9)13(15,16)17/h3-4,7,18H,2,5-6,8H2,1H3.
What are the key properties of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine?
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine has a molecular weight of 261.26 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine is sourced from PubChem (CID 104688068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).