3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride

C12H14ClF5N2O — CID 166105001

IUPAC3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride
SMILESCl.FC1(F)CNCC(COc2cccnc2C(F)(F)F)C1
InChIInChI=1S/C12H13F5N2O.ClH/c13-11(14)4-8(5-18-7-11)6-20-9-2-1-3-19-10(9)12(15,16)17;/h1-3,8,18H,4-7H2;1H
InChIKeyWNQJTXCYMAKXEY-UHFFFAOYSA-N
MW332.70 g/mol
LogP3.15
Rot. Bonds3

About 3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride

3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride (PubChem CID 166105001) has the molecular formula C12H14ClF5N2O and a molecular weight of 332.70 g/mol. Its IUPAC name is 3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride
PubChem CID166105001
Molecular FormulaC12H14ClF5N2O
Molecular Weight332.70 g/mol
Exact Mass332.07
IUPAC Name3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride
SMILESCl.FC1(F)CNCC(COc2cccnc2C(F)(F)F)C1
InChIInChI=1S/C12H13F5N2O.ClH/c13-11(14)4-8(5-18-7-11)6-20-9-2-1-3-19-10(9)12(15,16)17;/h1-3,8,18H,4-7H2;1H
InChIKeyWNQJTXCYMAKXEY-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.70
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride?
The IUPAC name of 3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride (CID 166105001) is 3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride.
What is the SMILES notation for 3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride?
The canonical SMILES for 3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride is Cl.FC1(F)CNCC(COc2cccnc2C(F)(F)F)C1.
What is the InChIKey of 3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride?
The InChIKey is WNQJTXCYMAKXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5N2O.ClH/c13-11(14)4-8(5-18-7-11)6-20-9-2-1-3-19-10(9)12(15,16)17;/h1-3,8,18H,4-7H2;1H.
What are the key properties of 3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride?
3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride has a molecular weight of 332.70 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-difluoropiperidin-3-yl)methoxy]-2-(trifluoromethyl)pyridine;hydrochloride is sourced from PubChem (CID 166105001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).