6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol

C11H13ClFNO — CID 84793255

IUPAC6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol
SMILESCc1cc(Cl)c(O)c(C2CCCN2)c1F
InChIInChI=1S/C11H13ClFNO/c1-6-5-7(12)11(15)9(10(6)13)8-3-2-4-14-8/h5,8,14-15H,2-4H2,1H3
InChIKeyWPEPZHWVPFLCRK-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.92
Rot. Bonds1

About 6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol

6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol (PubChem CID 84793255) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol
PubChem CID84793255
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol
SMILESCc1cc(Cl)c(O)c(C2CCCN2)c1F
InChIInChI=1S/C11H13ClFNO/c1-6-5-7(12)11(15)9(10(6)13)8-3-2-4-14-8/h5,8,14-15H,2-4H2,1H3
InChIKeyWPEPZHWVPFLCRK-UHFFFAOYSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol
CID 117352288
2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine
CID 117397971
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
3-chloro-5-methyl-2-pyrrolidin-2-ylphenol
CID 84782063
2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 130664608
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825
2-chloro-6-methyl-4-piperidin-2-ylphenol
CID 84690212
(2S)-2-(4-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 66518685
3-chloro-4-methyl-2-pyrrolidin-2-ylphenol
CID 84782064
3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518689
(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
CID 66518682

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol?
The IUPAC name of 6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol (CID 84793255) is 6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol.
What is the SMILES notation for 6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol?
The canonical SMILES for 6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol is Cc1cc(Cl)c(O)c(C2CCCN2)c1F.
What is the InChIKey of 6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol?
The InChIKey is WPEPZHWVPFLCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-6-5-7(12)11(15)9(10(6)13)8-3-2-4-14-8/h5,8,14-15H,2-4H2,1H3.
What are the key properties of 6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol?
6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol has a molecular weight of 229.68 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol is sourced from PubChem (CID 84793255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).