3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine

C14H18F3N — CID 86887618

IUPAC3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine
SMILESCC1CCN(C(C)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3N/c1-10-7-8-18(9-10)11(2)12-3-5-13(6-4-12)14(15,16)17/h3-6,10-11H,7-9H2,1-2H3
InChIKeyBWQPJNCARQCPHL-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.11
Rot. Bonds2

About 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine

3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine (PubChem CID 86887618) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine.

Molecular Properties

Compound Name3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine
PubChem CID86887618
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine
SMILESCC1CCN(C(C)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3N/c1-10-7-8-18(9-10)11(2)12-3-5-13(6-4-12)14(15,16)17/h3-6,10-11H,7-9H2,1-2H3
InChIKeyBWQPJNCARQCPHL-UHFFFAOYSA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 84756828
(5S)-3-bromo-5-[(3R)-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]-4,5-dihydro-1,2-oxazole
CID 155344173
3-bromo-5-[(3S)-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]-4,5-dihydro-1,2-oxazole
CID 166177663
3-methyl-1-[phenyl-[4-(trifluoromethyl)phenyl]methyl]azetidine
CID 162572290
N-[[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]methanesulfonamide
CID 126804629
1-[1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]imidazolidin-2-one
CID 95159594
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
N-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-enamide
CID 155344343
2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 64978991
1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905772
1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917520
(5S)-3-bromo-5-[1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-4,5-dihydro-1,2-oxazole
CID 155344236

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine?
The IUPAC name of 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine (CID 86887618) is 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine.
What is the SMILES notation for 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine?
The canonical SMILES for 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine is CC1CCN(C(C)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine?
The InChIKey is BWQPJNCARQCPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-10-7-8-18(9-10)11(2)12-3-5-13(6-4-12)14(15,16)17/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine?
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine has a molecular weight of 257.30 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine is sourced from PubChem (CID 86887618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).