3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol

C17H16F3NO2 — CID 71554708

IUPAC3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
SMILESOC1CC(c2cccc(C(F)(F)F)c2)([C@H](O)c2ccccn2)C1
InChIInChI=1S/C17H16F3NO2/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/h1-8,13,15,22-23H,9-10H2/t13?,15-,16?/m1/s1
InChIKeyGJJHRIMWBZMOJP-OGVSOVDVSA-N
MW323.31 g/mol
LogP3.23
Rot. Bonds3

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

3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol (PubChem CID 71554708) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
PubChem CID71554708
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
SMILESOC1CC(c2cccc(C(F)(F)F)c2)([C@H](O)c2ccccn2)C1
InChIInChI=1S/C17H16F3NO2/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/h1-8,13,15,22-23H,9-10H2/t13?,15-,16?/m1/s1
InChIKeyGJJHRIMWBZMOJP-OGVSOVDVSA-N
XLogP3.23
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol?
The IUPAC name of 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol (CID 71554708) is 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol is OC1CC(c2cccc(C(F)(F)F)c2)([C@H](O)c2ccccn2)C1.
What is the InChIKey of 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol?
The InChIKey is GJJHRIMWBZMOJP-OGVSOVDVSA-N. The full InChI is InChI=1S/C17H16F3NO2/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/h1-8,13,15,22-23H,9-10H2/t13?,15-,16?/m1/s1.
What are the key properties of 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol?
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol has a molecular weight of 323.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 71554708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).