4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol

C13H12F5NO2 — CID 166796034

IUPAC4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol
SMILESOC1c2c(C(F)F)ncc(OC3CC(F)(F)C3)c2CC1F
InChIInChI=1S/C13H12F5NO2/c14-7-1-6-8(21-5-2-13(17,18)3-5)4-19-10(12(15)16)9(6)11(7)20/h4-5,7,11-12,20H,1-3H2
InChIKeyGEUOCBUVYDZBRO-UHFFFAOYSA-N
MW309.23 g/mol
LogP3.12
Rot. Bonds3

About 4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol

4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol (PubChem CID 166796034) has the molecular formula C13H12F5NO2 and a molecular weight of 309.23 g/mol. Its IUPAC name is 4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol.

Molecular Properties

Compound Name4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol
PubChem CID166796034
Molecular FormulaC13H12F5NO2
Molecular Weight309.23 g/mol
Exact Mass309.08
IUPAC Name4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol
SMILESOC1c2c(C(F)F)ncc(OC3CC(F)(F)C3)c2CC1F
InChIInChI=1S/C13H12F5NO2/c14-7-1-6-8(21-5-2-13(17,18)3-5)4-19-10(12(15)16)9(6)11(7)20/h4-5,7,11-12,20H,1-3H2
InChIKeyGEUOCBUVYDZBRO-UHFFFAOYSA-N
XLogP3.12
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol with MolForge

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Related Compounds

6-(3,3-difluorocyclobutyl)oxy-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol
CID 146523519
4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol
CID 145152946
4-(3,3-difluorocyclobutyl)oxypyridine
CID 151538353
2-(3,3-difluorocyclobutyl)oxy-5-propan-2-ylpyrazine
CID 177013978
(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
CID 134259153
1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene
CID 118560278
4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
CID 134586991
(5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol
CID 161179606
5-bromo-2-(3,3-difluorocyclobutyl)oxypyridine
CID 151835706
(1S,2R)-4-[(S)-(3,3-difluorocyclobutyl)-hydroxymethyl]-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
CID 164883130
tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetate
CID 118627152
(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 122532867

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol?
The IUPAC name of 4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol (CID 166796034) is 4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol.
What is the SMILES notation for 4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol?
The canonical SMILES for 4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol is OC1c2c(C(F)F)ncc(OC3CC(F)(F)C3)c2CC1F.
What is the InChIKey of 4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol?
The InChIKey is GEUOCBUVYDZBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F5NO2/c14-7-1-6-8(21-5-2-13(17,18)3-5)4-19-10(12(15)16)9(6)11(7)20/h4-5,7,11-12,20H,1-3H2.
What are the key properties of 4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol?
4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol has a molecular weight of 309.23 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorocyclobutyl)oxy-1-(difluoromethyl)-6-fluoro-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol is sourced from PubChem (CID 166796034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).