(2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone

C11H11F2NO2 — CID 70858755

IUPAC(2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1c(F)cc(O)cc1F)N1CCCC1
InChIInChI=1S/C11H11F2NO2/c12-8-5-7(15)6-9(13)10(8)11(16)14-3-1-2-4-14/h5-6,15H,1-4H2
InChIKeyQNHQVQMEZSIHDD-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.91
Rot. Bonds1

About (2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone

(2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 70858755) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is (2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone
PubChem CID70858755
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name(2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1c(F)cc(O)cc1F)N1CCCC1
InChIInChI=1S/C11H11F2NO2/c12-8-5-7(15)6-9(13)10(8)11(16)14-3-1-2-4-14/h5-6,15H,1-4H2
InChIKeyQNHQVQMEZSIHDD-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone
CID 171905666
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
(2,3,4,5,6-pentafluorophenyl)-pyrrolidin-1-ylmethanone
CID 2169089
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
thiomorpholin-4-yl-(2,4,6-trifluorophenyl)methanone
CID 164512728
(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
CID 63187366
(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone
CID 39245269
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 108537079
(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 875976
(3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol
CID 143923093
(3-bromo-2-chloro-6-fluorophenyl)-piperidin-1-ylmethanone
CID 164894050

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone (CID 70858755) is (2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone is O=C(c1c(F)cc(O)cc1F)N1CCCC1.
What is the InChIKey of (2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is QNHQVQMEZSIHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-8-5-7(15)6-9(13)10(8)11(16)14-3-1-2-4-14/h5-6,15H,1-4H2.
What are the key properties of (2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone?
(2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 227.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 70858755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).