1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol

C9H10F3NO — CID 123237942

IUPAC1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol
SMILESCc1cncc(C(C)(O)C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-6-3-7(5-13-4-6)8(2,14)9(10,11)12/h3-5,14H,1-2H3
InChIKeyAYOANFHQYSYHLO-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.16
Rot. Bonds1

About 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol

1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol (PubChem CID 123237942) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol
PubChem CID123237942
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol
SMILESCc1cncc(C(C)(O)C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-6-3-7(5-13-4-6)8(2,14)9(10,11)12/h3-5,14H,1-2H3
InChIKeyAYOANFHQYSYHLO-UHFFFAOYSA-N
XLogP2.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol (CID 123237942) is 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol is Cc1cncc(C(C)(O)C(F)(F)F)c1.
What is the InChIKey of 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol?
The InChIKey is AYOANFHQYSYHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-6-3-7(5-13-4-6)8(2,14)9(10,11)12/h3-5,14H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol?
1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol has a molecular weight of 205.18 g/mol, XLogP of 2.16, 1 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-(5-methyl-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 123237942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).