pyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol

C17H16F3NO2 — CID 56652017

IUPACpyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol
SMILESOC(c1ccccn1)C1(c2ccccc2OC(F)(F)F)CCC1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)23-14-8-2-1-6-12(14)16(9-5-10-16)15(22)13-7-3-4-11-21-13/h1-4,6-8,11,15,22H,5,9-10H2
InChIKeyHOFLGVVKGIWHMS-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.14
Rot. Bonds4

About pyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol

pyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol (PubChem CID 56652017) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is pyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol.

Molecular Properties

Compound Namepyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol
PubChem CID56652017
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Namepyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol
SMILESOC(c1ccccn1)C1(c2ccccc2OC(F)(F)F)CCC1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)23-14-8-2-1-6-12(14)16(9-5-10-16)15(22)13-7-3-4-11-21-13/h1-4,6-8,11,15,22H,5,9-10H2
InChIKeyHOFLGVVKGIWHMS-UHFFFAOYSA-N
XLogP4.14
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol?
The IUPAC name of pyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol (CID 56652017) is pyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol.
What is the SMILES notation for pyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol?
The canonical SMILES for pyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol is OC(c1ccccn1)C1(c2ccccc2OC(F)(F)F)CCC1.
What is the InChIKey of pyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol?
The InChIKey is HOFLGVVKGIWHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c18-17(19,20)23-14-8-2-1-6-12(14)16(9-5-10-16)15(22)13-7-3-4-11-21-13/h1-4,6-8,11,15,22H,5,9-10H2.
What are the key properties of pyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol?
pyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol has a molecular weight of 323.31 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol is sourced from PubChem (CID 56652017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).