(2-hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone

C16H20F3NO2 — CID 174433135

IUPAC(2-hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)C1CC(C)CCCC1O
InChIInChI=1S/C16H20F3NO2/c1-9-4-3-5-13(21)12(8-9)15(22)11-6-7-14(16(17,18)19)20-10(11)2/h6-7,9,12-13,21H,3-5,8H2,1-2H3
InChIKeyKRQHNPYYXJPNJG-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.78
Rot. Bonds2

About (2-hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone

(2-hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 174433135) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is (2-hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID174433135
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name(2-hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)C1CC(C)CCCC1O
InChIInChI=1S/C16H20F3NO2/c1-9-4-3-5-13(21)12(8-9)15(22)11-6-7-14(16(17,18)19)20-10(11)2/h6-7,9,12-13,21H,3-5,8H2,1-2H3
InChIKeyKRQHNPYYXJPNJG-UHFFFAOYSA-N
XLogP3.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (2-hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (CID 174433135) is (2-hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (2-hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (2-hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is Cc1nc(C(F)(F)F)ccc1C(=O)C1CC(C)CCCC1O.
What is the InChIKey of (2-hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is KRQHNPYYXJPNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-9-4-3-5-13(21)12(8-9)15(22)11-6-7-14(16(17,18)19)20-10(11)2/h6-7,9,12-13,21H,3-5,8H2,1-2H3.
What are the key properties of (2-hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
(2-hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 315.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-6-methylcycloheptyl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 174433135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).