2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol

C18H18F3NO2 — CID 66749821

IUPAC2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol
SMILESOCC(c1ccccn1)C1(c2ccc(OC(F)(F)F)cc2)CCC1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)24-14-7-5-13(6-8-14)17(9-3-10-17)15(12-23)16-4-1-2-11-22-16/h1-2,4-8,11,15,23H,3,9-10,12H2
InChIKeyTWJYZQFXSYVBNP-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.18
Rot. Bonds5

About 2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol

2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol (PubChem CID 66749821) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol.

Molecular Properties

Compound Name2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol
PubChem CID66749821
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol
SMILESOCC(c1ccccn1)C1(c2ccc(OC(F)(F)F)cc2)CCC1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)24-14-7-5-13(6-8-14)17(9-3-10-17)15(12-23)16-4-1-2-11-22-16/h1-2,4-8,11,15,23H,3,9-10,12H2
InChIKeyTWJYZQFXSYVBNP-UHFFFAOYSA-N
XLogP4.18
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol
CID 71555441
pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol
CID 56653029
(1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28647890
(S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol
CID 71522264
3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405539
(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405569
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129032986
[1-[amino(pyridin-2-yl)methyl]cyclobutyl]methanol
CID 116944252
(4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol
CID 129388315
[1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 71555149
[4-[2-oxo-2-[1-[4-(trifluoromethoxy)phenyl]cyclopentyl]oxyethoxy]phenyl]-diphenylsulfanium
CID 169017405

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol?
The IUPAC name of 2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol (CID 66749821) is 2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol.
What is the SMILES notation for 2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol?
The canonical SMILES for 2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol is OCC(c1ccccn1)C1(c2ccc(OC(F)(F)F)cc2)CCC1.
What is the InChIKey of 2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol?
The InChIKey is TWJYZQFXSYVBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c19-18(20,21)24-14-7-5-13(6-8-14)17(9-3-10-17)15(12-23)16-4-1-2-11-22-16/h1-2,4-8,11,15,23H,3,9-10,12H2.
What are the key properties of 2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol?
2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol has a molecular weight of 337.34 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol is sourced from PubChem (CID 66749821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).