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

C10H11F2NO — CID 84775150

IUPAC2,4-difluoro-3-pyrrolidin-2-ylphenol
SMILESOc1ccc(F)c(C2CCCN2)c1F
InChIInChI=1S/C10H11F2NO/c11-6-3-4-8(14)10(12)9(6)7-2-1-5-13-7/h3-4,7,13-14H,1-2,5H2
InChIKeyHRICWCWMGUOHDA-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.09
Rot. Bonds1

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

2,4-difluoro-3-pyrrolidin-2-ylphenol (PubChem CID 84775150) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 2,4-difluoro-3-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name2,4-difluoro-3-pyrrolidin-2-ylphenol
PubChem CID84775150
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name2,4-difluoro-3-pyrrolidin-2-ylphenol
SMILESOc1ccc(F)c(C2CCCN2)c1F
InChIInChI=1S/C10H11F2NO/c11-6-3-4-8(14)10(12)9(6)7-2-1-5-13-7/h3-4,7,13-14H,1-2,5H2
InChIKeyHRICWCWMGUOHDA-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine
CID 117330920
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride
CID 171196574
(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
CID 171196031
3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol
CID 66519065
(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
CID 66518682
2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine
CID 84709372
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
(2R)-2-(2,3-difluoro-6-methoxyphenyl)pyrrolidine
CID 165345527

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-pyrrolidin-2-ylphenol?
The IUPAC name of 2,4-difluoro-3-pyrrolidin-2-ylphenol (CID 84775150) is 2,4-difluoro-3-pyrrolidin-2-ylphenol.
What is the SMILES notation for 2,4-difluoro-3-pyrrolidin-2-ylphenol?
The canonical SMILES for 2,4-difluoro-3-pyrrolidin-2-ylphenol is Oc1ccc(F)c(C2CCCN2)c1F.
What is the InChIKey of 2,4-difluoro-3-pyrrolidin-2-ylphenol?
The InChIKey is HRICWCWMGUOHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-6-3-4-8(14)10(12)9(6)7-2-1-5-13-7/h3-4,7,13-14H,1-2,5H2.
What are the key properties of 2,4-difluoro-3-pyrrolidin-2-ylphenol?
2,4-difluoro-3-pyrrolidin-2-ylphenol has a molecular weight of 199.20 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-pyrrolidin-2-ylphenol is sourced from PubChem (CID 84775150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).