3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol

C10H11ClFNO — CID 66518689

IUPAC3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol
SMILESOc1c([C@@H]2CCCN2)ccc(Cl)c1F
InChIInChI=1S/C10H11ClFNO/c11-7-4-3-6(10(14)9(7)12)8-2-1-5-13-8/h3-4,8,13-14H,1-2,5H2/t8-/m0/s1
InChIKeyFLDJZFQDKVEXHX-QMMMGPOBSA-N
MW215.65 g/mol
LogP2.61
Rot. Bonds1

About 3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol

3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol (PubChem CID 66518689) has the molecular formula C10H11ClFNO and a molecular weight of 215.65 g/mol. Its IUPAC name is 3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol
PubChem CID66518689
Molecular FormulaC10H11ClFNO
Molecular Weight215.65 g/mol
Exact Mass215.05
IUPAC Name3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol
SMILESOc1c([C@@H]2CCCN2)ccc(Cl)c1F
InChIInChI=1S/C10H11ClFNO/c11-7-4-3-6(10(14)9(7)12)8-2-1-5-13-8/h3-4,8,13-14H,1-2,5H2/t8-/m0/s1
InChIKeyFLDJZFQDKVEXHX-QMMMGPOBSA-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'}

Analyze 3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol
CID 131052061
2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol
CID 131086790
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
3-chloro-4-pyrrolidin-2-ylphenol
CID 55271327
3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 55252487
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
5-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol
CID 66518714
4-chloro-5-fluoro-2-[(2S)-pyrrolidin-2-yl]phenol
CID 66518698
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol?
The IUPAC name of 3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol (CID 66518689) is 3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol is Oc1c([C@@H]2CCCN2)ccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol?
The InChIKey is FLDJZFQDKVEXHX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-7-4-3-6(10(14)9(7)12)8-2-1-5-13-8/h3-4,8,13-14H,1-2,5H2/t8-/m0/s1.
What are the key properties of 3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol?
3-chloro-2-fluoro-6-[(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 3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 66518689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).