(S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol

C17H16F3NO2 — CID 127043691

IUPAC(S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol
SMILESO[C@H](c1ccccn1)C1(c2cccc(OC(F)(F)F)c2)CCC1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)23-13-6-3-5-12(11-13)16(8-4-9-16)15(22)14-7-1-2-10-21-14/h1-3,5-7,10-11,15,22H,4,8-9H2/t15-/m1/s1
InChIKeyCQQMAKVCVBNQEN-OAHLLOKOSA-N
MW323.31 g/mol
LogP4.14
Rot. Bonds4

About (S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol

(S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol (PubChem CID 127043691) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is (S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol.

Molecular Properties

Compound Name(S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol
PubChem CID127043691
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name(S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol
SMILESO[C@H](c1ccccn1)C1(c2cccc(OC(F)(F)F)c2)CCC1
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)23-13-6-3-5-12(11-13)16(8-4-9-16)15(22)14-7-1-2-10-21-14/h1-3,5-7,10-11,15,22H,4,8-9H2/t15-/m1/s1
InChIKeyCQQMAKVCVBNQEN-OAHLLOKOSA-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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Related Compounds

alpha-(4-Methoxyphenyl)-2-pyridinemethanol
CID 99004
2-[3-(Pyridin-2-ylmethoxy)phenyl]heptan-2-ol
CID 14349154
Pyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol
CID 56652017
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 71519630
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 71554708
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 71554709
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 71554773
(S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol
CID 71555441
(S)-pyridin-2-yl(1-(4-(trifluoromethoxy)phenyl)cyclobutyl)methanol
CID 89524608
Naaa-IN-6
CID 118524884
2-Pyridinemethanol, 3,4-dimethyl-alpha-(3,4,5-trimethoxyphenyl)-
CID 3044481
2-[3-Fluoro-5-(3-pyridin-2-ylprop-2-ynoxy)phenyl]butane-1,2-diol
CID 44416124

Frequently Asked Questions

What is the IUPAC name of (S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol?
The IUPAC name of (S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol (CID 127043691) is (S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol.
What is the SMILES notation for (S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol?
The canonical SMILES for (S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol is O[C@H](c1ccccn1)C1(c2cccc(OC(F)(F)F)c2)CCC1.
What is the InChIKey of (S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol?
The InChIKey is CQQMAKVCVBNQEN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16F3NO2/c18-17(19,20)23-13-6-3-5-12(11-13)16(8-4-9-16)15(22)14-7-1-2-10-21-14/h1-3,5-7,10-11,15,22H,4,8-9H2/t15-/m1/s1.
What are the key properties of (S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol?
(S)-pyridin-2-yl-[1-[3-(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 (S)-pyridin-2-yl-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]methanol is sourced from PubChem (CID 127043691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).