1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol

C14H19F3N2O — CID 122154180

IUPAC1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol
SMILESCc1ccnc(C2CCN(CC(C)(O)C(F)(F)F)C2)c1
InChIInChI=1S/C14H19F3N2O/c1-10-3-5-18-12(7-10)11-4-6-19(8-11)9-13(2,20)14(15,16)17/h3,5,7,11,20H,4,6,8-9H2,1-2H3
InChIKeyWJOYDEGQVDYRRC-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.49
Rot. Bonds3

About 1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol

1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 122154180) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol
PubChem CID122154180
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol
SMILESCc1ccnc(C2CCN(CC(C)(O)C(F)(F)F)C2)c1
InChIInChI=1S/C14H19F3N2O/c1-10-3-5-18-12(7-10)11-4-6-19(8-11)9-13(2,20)14(15,16)17/h3,5,7,11,20H,4,6,8-9H2,1-2H3
InChIKeyWJOYDEGQVDYRRC-UHFFFAOYSA-N
XLogP2.49
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol (CID 122154180) is 1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol is Cc1ccnc(C2CCN(CC(C)(O)C(F)(F)F)C2)c1.
What is the InChIKey of 1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is WJOYDEGQVDYRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10-3-5-18-12(7-10)11-4-6-19(8-11)9-13(2,20)14(15,16)17/h3,5,7,11,20H,4,6,8-9H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol?
1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 288.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methyl-3-[3-(4-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 122154180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).