2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol

C12H14FNO3S — CID 123371553

IUPAC2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol
SMILESCS(=O)(=O)C1CC(c2ccc(O)c(F)c2)=CCN1
InChIInChI=1S/C12H14FNO3S/c1-18(16,17)12-7-9(4-5-14-12)8-2-3-11(15)10(13)6-8/h2-4,6,12,14-15H,5,7H2,1H3
InChIKeyCFKKQUNHFSCDPX-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.28
Rot. Bonds2

About 2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol

2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol (PubChem CID 123371553) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol
PubChem CID123371553
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC Name2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol
SMILESCS(=O)(=O)C1CC(c2ccc(O)c(F)c2)=CCN1
InChIInChI=1S/C12H14FNO3S/c1-18(16,17)12-7-9(4-5-14-12)8-2-3-11(15)10(13)6-8/h2-4,6,12,14-15H,5,7H2,1H3
InChIKeyCFKKQUNHFSCDPX-UHFFFAOYSA-N
XLogP1.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol?
The IUPAC name of 2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol (CID 123371553) is 2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol.
What is the SMILES notation for 2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol?
The canonical SMILES for 2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol is CS(=O)(=O)C1CC(c2ccc(O)c(F)c2)=CCN1.
What is the InChIKey of 2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol?
The InChIKey is CFKKQUNHFSCDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3S/c1-18(16,17)12-7-9(4-5-14-12)8-2-3-11(15)10(13)6-8/h2-4,6,12,14-15H,5,7H2,1H3.
What are the key properties of 2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol?
2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol has a molecular weight of 271.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol is sourced from PubChem (CID 123371553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).