3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one

C17H14F3NO2 — CID 71555740

IUPAC3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one
SMILESO=C1CC(c2cccc(C(F)(F)F)c2)([C@@H](O)c2ccccn2)C1
InChIInChI=1S/C17H14F3NO2/c18-17(19,20)12-5-3-4-11(8-12)16(9-13(22)10-16)15(23)14-6-1-2-7-21-14/h1-8,15,23H,9-10H2/t15-/m0/s1
InChIKeyPRZCHPOZAUZOJS-HNNXBMFYSA-N
MW321.30 g/mol
LogP3.43
Rot. Bonds3

About 3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one

3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one (PubChem CID 71555740) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one.

Molecular Properties

Compound Name3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one
PubChem CID71555740
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one
SMILESO=C1CC(c2cccc(C(F)(F)F)c2)([C@@H](O)c2ccccn2)C1
InChIInChI=1S/C17H14F3NO2/c18-17(19,20)12-5-3-4-11(8-12)16(9-13(22)10-16)15(23)14-6-1-2-7-21-14/h1-8,15,23H,9-10H2/t15-/m0/s1
InChIKeyPRZCHPOZAUZOJS-HNNXBMFYSA-N
XLogP3.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol
CID 78110101
3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 80525256
[4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol
CID 56654416
(S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol
CID 71555441
2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 110896910
6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 124598307
4-methyl-4-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 64666853
N-methyl-1-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62600521
2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile
CID 101120853
1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol
CID 66459097
N-[(3-methylphenyl)-pyridin-2-ylmethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133414669
2-[3-(trifluoromethyl)phenyl]oxetane-2-carboxylic acid
CID 117258800

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one?
The IUPAC name of 3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one (CID 71555740) is 3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one.
What is the SMILES notation for 3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one?
The canonical SMILES for 3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one is O=C1CC(c2cccc(C(F)(F)F)c2)([C@@H](O)c2ccccn2)C1.
What is the InChIKey of 3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one?
The InChIKey is PRZCHPOZAUZOJS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c18-17(19,20)12-5-3-4-11(8-12)16(9-13(22)10-16)15(23)14-6-1-2-7-21-14/h1-8,15,23H,9-10H2/t15-/m0/s1.
What are the key properties of 3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one?
3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one has a molecular weight of 321.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one is sourced from PubChem (CID 71555740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).