2-methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol

C16H16F3NO — CID 21415654

IUPAC2-methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(C)C(O)(c1ccc(C(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C16H16F3NO/c1-11(2)15(21,14-5-3-4-10-20-14)12-6-8-13(9-7-12)16(17,18)19/h3-11,21H,1-2H3
InChIKeyYQZWXGKBVNZYQF-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.99
Rot. Bonds3

About 2-methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol

2-methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 21415654) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID21415654
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(C)C(O)(c1ccc(C(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C16H16F3NO/c1-11(2)15(21,14-5-3-4-10-20-14)12-6-8-13(9-7-12)16(17,18)19/h3-11,21H,1-2H3
InChIKeyYQZWXGKBVNZYQF-UHFFFAOYSA-N
XLogP3.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 21415654) is 2-methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol is CC(C)C(O)(c1ccc(C(F)(F)F)cc1)c1ccccn1.
What is the InChIKey of 2-methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is YQZWXGKBVNZYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11(2)15(21,14-5-3-4-10-20-14)12-6-8-13(9-7-12)16(17,18)19/h3-11,21H,1-2H3.
What are the key properties of 2-methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
2-methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 295.30 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 21415654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).