1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol

C15H20F3NO — CID 83980891

IUPAC1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol
SMILESCc1cccc(CN2CCC(C(C)(O)C(F)(F)F)C2)c1
InChIInChI=1S/C15H20F3NO/c1-11-4-3-5-12(8-11)9-19-7-6-13(10-19)14(2,20)15(16,17)18/h3-5,8,13,20H,6-7,9-10H2,1-2H3
InChIKeyQKNZHDCAICTYCE-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.13
Rot. Bonds3

About 1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol

1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol (PubChem CID 83980891) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol
PubChem CID83980891
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol
SMILESCc1cccc(CN2CCC(C(C)(O)C(F)(F)F)C2)c1
InChIInChI=1S/C15H20F3NO/c1-11-4-3-5-12(8-11)9-19-7-6-13(10-19)14(2,20)15(16,17)18/h3-5,8,13,20H,6-7,9-10H2,1-2H3
InChIKeyQKNZHDCAICTYCE-UHFFFAOYSA-N
XLogP3.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
CID 83982590
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 155981160
4-bromo-3-methyl-1-[(3-methylphenyl)methyl]piperidine
CID 114682467
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983429
3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 71901278
(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 95560258
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980872
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol (CID 83980891) is 1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol is Cc1cccc(CN2CCC(C(C)(O)C(F)(F)F)C2)c1.
What is the InChIKey of 1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol?
The InChIKey is QKNZHDCAICTYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-11-4-3-5-12(8-11)9-19-7-6-13(10-19)14(2,20)15(16,17)18/h3-5,8,13,20H,6-7,9-10H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol?
1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol has a molecular weight of 287.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 83980891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).