6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol

C11H12ClF2NO — CID 117372312

IUPAC6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol
SMILESCC1(c2cc(Cl)c(O)c(F)c2F)CCCN1
InChIInChI=1S/C11H12ClF2NO/c1-11(3-2-4-15-11)6-5-7(12)10(16)9(14)8(6)13/h5,15-16H,2-4H2,1H3
InChIKeyIKJLUIFMUATRTC-UHFFFAOYSA-N
MW247.67 g/mol
LogP2.92
Rot. Bonds1

About 6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol

6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol (PubChem CID 117372312) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is 6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol.

Molecular Properties

Compound Name6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol
PubChem CID117372312
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Name6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol
SMILESCC1(c2cc(Cl)c(O)c(F)c2F)CCCN1
InChIInChI=1S/C11H12ClF2NO/c1-11(3-2-4-15-11)6-5-7(12)10(16)9(14)8(6)13/h5,15-16H,2-4H2,1H3
InChIKeyIKJLUIFMUATRTC-UHFFFAOYSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-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

2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol
CID 117361379
2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine
CID 117116945
2-chloro-4-(2-methylpyrrolidin-2-yl)-5-(trifluoromethyl)phenol
CID 117448659
2-(4-bromo-2,3,5-trifluorophenyl)-2-methylpyrrolidine
CID 117116947
4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol
CID 117303885
2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine
CID 117335365
2-(3-bromo-2,4,5-trifluorophenyl)-2-methylpyrrolidine
CID 117116949
2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine
CID 117335369
2-(2,4-difluoro-5-methylphenyl)-2-methylpyrrolidine
CID 117301639
2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine
CID 117301641
2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine
CID 117299721
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol?
The IUPAC name of 6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol (CID 117372312) is 6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol.
What is the SMILES notation for 6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol?
The canonical SMILES for 6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol is CC1(c2cc(Cl)c(O)c(F)c2F)CCCN1.
What is the InChIKey of 6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol?
The InChIKey is IKJLUIFMUATRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c1-11(3-2-4-15-11)6-5-7(12)10(16)9(14)8(6)13/h5,15-16H,2-4H2,1H3.
What are the key properties of 6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol?
6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol has a molecular weight of 247.67 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-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol is sourced from PubChem (CID 117372312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).