4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol

C10H11ClFNO — CID 66518698

IUPAC4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol
SMILESOc1cc(F)c(Cl)cc1[C@@H]1CCCN1
InChIInChI=1S/C10H11ClFNO/c11-7-4-6(9-2-1-3-13-9)10(14)5-8(7)12/h4-5,9,13-14H,1-3H2/t9-/m0/s1
InChIKeyDFHGVLUKQCHJBH-VIFPVBQESA-N
MW215.65 g/mol
LogP2.61
Rot. Bonds1

About 4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol

4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol (PubChem CID 66518698) has the molecular formula C10H11ClFNO and a molecular weight of 215.65 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol
PubChem CID66518698
Molecular FormulaC10H11ClFNO
Molecular Weight215.65 g/mol
Exact Mass215.05
IUPAC Name4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol
SMILESOc1cc(F)c(Cl)cc1[C@@H]1CCCN1
InChIInChI=1S/C10H11ClFNO/c11-7-4-6(9-2-1-3-13-9)10(14)5-8(7)12/h4-5,9,13-14H,1-3H2/t9-/m0/s1
InChIKeyDFHGVLUKQCHJBH-VIFPVBQESA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.65
LogP ≤ 52.61
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

5-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol
CID 66518714
3-chloro-4-pyrrolidin-2-ylphenol
CID 55271327
3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 55252487
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
(2S)-2-(4-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 66518685
3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518689
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
2-(5-chloro-2,3-difluorophenyl)pyrrolidine
CID 84785733
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
2-(azepan-2-yl)-5-fluorophenol
CID 107014696
2-(5-chloro-2-fluoro-4-methoxyphenyl)piperidine
CID 84704156

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol?
The IUPAC name of 4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol (CID 66518698) is 4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol is Oc1cc(F)c(Cl)cc1[C@@H]1CCCN1.
What is the InChIKey of 4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol?
The InChIKey is DFHGVLUKQCHJBH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-7-4-6(9-2-1-3-13-9)10(14)5-8(7)12/h4-5,9,13-14H,1-3H2/t9-/m0/s1.
What are the key properties of 4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol?
4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol has a molecular weight of 215.65 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 66518698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).