6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol

C9H8F3NO — CID 155391972

IUPAC6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol
SMILESOc1cnc(C2CC(F)(F)C2)c(F)c1
InChIInChI=1S/C9H8F3NO/c10-7-1-6(14)4-13-8(7)5-2-9(11,12)3-5/h1,4-5,14H,2-3H2
InChIKeyLVNIXZUJJGVCPZ-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.44
Rot. Bonds1

About 6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol

6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol (PubChem CID 155391972) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol.

Molecular Properties

Compound Name6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol
PubChem CID155391972
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol
SMILESOc1cnc(C2CC(F)(F)C2)c(F)c1
InChIInChI=1S/C9H8F3NO/c10-7-1-6(14)4-13-8(7)5-2-9(11,12)3-5/h1,4-5,14H,2-3H2
InChIKeyLVNIXZUJJGVCPZ-UHFFFAOYSA-N
XLogP2.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol?
The IUPAC name of 6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol (CID 155391972) is 6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol.
What is the SMILES notation for 6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol?
The canonical SMILES for 6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol is Oc1cnc(C2CC(F)(F)C2)c(F)c1.
What is the InChIKey of 6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol?
The InChIKey is LVNIXZUJJGVCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c10-7-1-6(14)4-13-8(7)5-2-9(11,12)3-5/h1,4-5,14H,2-3H2.
What are the key properties of 6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol?
6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol has a molecular weight of 203.16 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol is sourced from PubChem (CID 155391972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).