2,6-difluoro-4-pyrrolidin-3-ylphenol

C10H11F2NO — CID 84775153

IUPAC2,6-difluoro-4-pyrrolidin-3-ylphenol
SMILESOc1c(F)cc(C2CCNC2)cc1F
InChIInChI=1S/C10H11F2NO/c11-8-3-7(4-9(12)10(8)14)6-1-2-13-5-6/h3-4,6,13-14H,1-2,5H2
InChIKeyNOAHMGPWOBDMKH-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.75
Rot. Bonds1

About 2,6-difluoro-4-pyrrolidin-3-ylphenol

2,6-difluoro-4-pyrrolidin-3-ylphenol (PubChem CID 84775153) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 2,6-difluoro-4-pyrrolidin-3-ylphenol.

Molecular Properties

Compound Name2,6-difluoro-4-pyrrolidin-3-ylphenol
PubChem CID84775153
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name2,6-difluoro-4-pyrrolidin-3-ylphenol
SMILESOc1c(F)cc(C2CCNC2)cc1F
InChIInChI=1S/C10H11F2NO/c11-8-3-7(4-9(12)10(8)14)6-1-2-13-5-6/h3-4,6,13-14H,1-2,5H2
InChIKeyNOAHMGPWOBDMKH-UHFFFAOYSA-N
XLogP1.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclooctyl-2,6-difluorophenol
CID 151133055
3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine
CID 117446844
methyl 3-fluoro-2-hydroxy-5-piperidin-3-ylbenzoate
CID 117385557
2-fluoro-4-piperidin-3-ylphenol
CID 82606236
2,4-difluoro-6-piperidin-3-ylphenol
CID 84782649
2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol
CID 84792614
3-pyrrolidin-3-ylphenol
CID 12937992
3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117468431
3-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]pyrrolidine
CID 117465145
3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
CID 84692495
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine
CID 117401616

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-pyrrolidin-3-ylphenol?
The IUPAC name of 2,6-difluoro-4-pyrrolidin-3-ylphenol (CID 84775153) is 2,6-difluoro-4-pyrrolidin-3-ylphenol.
What is the SMILES notation for 2,6-difluoro-4-pyrrolidin-3-ylphenol?
The canonical SMILES for 2,6-difluoro-4-pyrrolidin-3-ylphenol is Oc1c(F)cc(C2CCNC2)cc1F.
What is the InChIKey of 2,6-difluoro-4-pyrrolidin-3-ylphenol?
The InChIKey is NOAHMGPWOBDMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-8-3-7(4-9(12)10(8)14)6-1-2-13-5-6/h3-4,6,13-14H,1-2,5H2.
What are the key properties of 2,6-difluoro-4-pyrrolidin-3-ylphenol?
2,6-difluoro-4-pyrrolidin-3-ylphenol has a molecular weight of 199.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-pyrrolidin-3-ylphenol is sourced from PubChem (CID 84775153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).