3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol

C13H16F3NO — CID 103728549

IUPAC3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16F3NO/c1-12(18)5-6-17(9-12)8-10-3-2-4-11(7-10)13(14,15)16/h2-4,7,18H,5-6,8-9H2,1H3
InChIKeyMVIREGCKTAMJSF-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.66
Rot. Bonds2

About 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol

3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 103728549) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
PubChem CID103728549
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16F3NO/c1-12(18)5-6-17(9-12)8-10-3-2-4-11(7-10)13(14,15)16/h2-4,7,18H,5-6,8-9H2,1H3
InChIKeyMVIREGCKTAMJSF-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 63147825
4-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 63125005
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 80702504
1-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methylpyrrolidin-3-ol
CID 103357989
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
(5S,6S)-8-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110156761
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
1-[(4-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 22195771
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol (CID 103728549) is 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol is CC1(O)CCN(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is MVIREGCKTAMJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-12(18)5-6-17(9-12)8-10-3-2-4-11(7-10)13(14,15)16/h2-4,7,18H,5-6,8-9H2,1H3.
What are the key properties of 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 259.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 103728549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).