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

C17H16F3NO3 — CID 71554773

IUPAC3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
SMILESOC1CC(c2cccc(OC(F)(F)F)c2)([C@H](O)c2ccccn2)C1
InChIInChI=1S/C17H16F3NO3/c18-17(19,20)24-13-5-3-4-11(8-13)16(9-12(22)10-16)15(23)14-6-1-2-7-21-14/h1-8,12,15,22-23H,9-10H2/t12?,15-,16?/m1/s1
InChIKeyQHXCJWXRXJWTNB-DSSZZKGTSA-N
MW339.31 g/mol
LogP3.11
Rot. Bonds4

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

3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol (PubChem CID 71554773) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
PubChem CID71554773
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
SMILESOC1CC(c2cccc(OC(F)(F)F)c2)([C@H](O)c2ccccn2)C1
InChIInChI=1S/C17H16F3NO3/c18-17(19,20)24-13-5-3-4-11(8-13)16(9-12(22)10-16)15(23)14-6-1-2-7-21-14/h1-8,12,15,22-23H,9-10H2/t12?,15-,16?/m1/s1
InChIKeyQHXCJWXRXJWTNB-DSSZZKGTSA-N
XLogP3.11
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The IUPAC name of 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol (CID 71554773) is 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol is OC1CC(c2cccc(OC(F)(F)F)c2)([C@H](O)c2ccccn2)C1.
What is the InChIKey of 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The InChIKey is QHXCJWXRXJWTNB-DSSZZKGTSA-N. The full InChI is InChI=1S/C17H16F3NO3/c18-17(19,20)24-13-5-3-4-11(8-13)16(9-12(22)10-16)15(23)14-6-1-2-7-21-14/h1-8,12,15,22-23H,9-10H2/t12?,15-,16?/m1/s1.
What are the key properties of 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol has a molecular weight of 339.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 71554773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).