(S)-pyridin-2-yl(1-(4-(trifluoromethoxy)phenyl)cyclobutyl)methanol

C17H16F3NO2 — CID 89524608

IUPAC(S)-pyridin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol
SMILESC1CC(C1)(C2=CC=C(C=C2)OC(F)(F)F)[C@@H](C3=CC=CC=N3)O
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)23-13-7-5-12(6-8-13)16(9-3-10-16)15(22)14-4-1-2-11-21-14/h1-2,4-8,11,15,22H,3,9-10H2/t15-/m1/s1
InChIKeyXAYYXYIYVFPEBD-OAHLLOKOSA-N
MW323.31 g/mol
LogP4.00
Rot. Bonds4

About (S)-pyridin-2-yl(1-(4-(trifluoromethoxy)phenyl)cyclobutyl)methanol

(S)-pyridin-2-yl(1-(4-(trifluoromethoxy)phenyl)cyclobutyl)methanol (PubChem CID 89524608) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is (S)-pyridin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol.

Molecular Properties

Compound Name(S)-pyridin-2-yl(1-(4-(trifluoromethoxy)phenyl)cyclobutyl)methanol
PubChem CID89524608
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name(S)-pyridin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol
SMILESC1CC(C1)(C2=CC=C(C=C2)OC(F)(F)F)[C@@H](C3=CC=CC=N3)O
InChIInChI=1S/C17H16F3NO2/c18-17(19,20)23-13-7-5-12(6-8-13)16(9-3-10-16)15(22)14-4-1-2-11-21-14/h1-2,4-8,11,15,22H,3,9-10H2/t15-/m1/s1
InChIKeyXAYYXYIYVFPEBD-OAHLLOKOSA-N
XLogP4.00
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity390

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
alpha-(4-Methoxyphenyl)-2-pyridinemethanol
CID 99004
2-[5-[1-[3-Cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridinyl]propan-2-ol
CID 10863652
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
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
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 71555668

Frequently Asked Questions

What is the IUPAC name of (S)-pyridin-2-yl(1-(4-(trifluoromethoxy)phenyl)cyclobutyl)methanol?
The IUPAC name of (S)-pyridin-2-yl(1-(4-(trifluoromethoxy)phenyl)cyclobutyl)methanol (CID 89524608) is (S)-pyridin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol.
What is the SMILES notation for (S)-pyridin-2-yl(1-(4-(trifluoromethoxy)phenyl)cyclobutyl)methanol?
The canonical SMILES for (S)-pyridin-2-yl(1-(4-(trifluoromethoxy)phenyl)cyclobutyl)methanol is C1CC(C1)(C2=CC=C(C=C2)OC(F)(F)F)[C@@H](C3=CC=CC=N3)O.
What is the InChIKey of (S)-pyridin-2-yl(1-(4-(trifluoromethoxy)phenyl)cyclobutyl)methanol?
The InChIKey is XAYYXYIYVFPEBD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16F3NO2/c18-17(19,20)23-13-7-5-12(6-8-13)16(9-3-10-16)15(22)14-4-1-2-11-21-14/h1-2,4-8,11,15,22H,3,9-10H2/t15-/m1/s1.
What are the key properties of (S)-pyridin-2-yl(1-(4-(trifluoromethoxy)phenyl)cyclobutyl)methanol?
(S)-pyridin-2-yl(1-(4-(trifluoromethoxy)phenyl)cyclobutyl)methanol has a molecular weight of 323.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-pyridin-2-yl(1-(4-(trifluoromethoxy)phenyl)cyclobutyl)methanol is sourced from PubChem (CID 89524608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).