(4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol

C17H16F2OS2 — CID 11078271

IUPAC(4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol
SMILESOC(c1ccc(F)cc1)C1(c2ccc(F)cc2)SCCCS1
InChIInChI=1S/C17H16F2OS2/c18-14-6-2-12(3-7-14)16(20)17(21-10-1-11-22-17)13-4-8-15(19)9-5-13/h2-9,16,20H,1,10-11H2
InChIKeyANZQRAJZSCKEMP-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.72
Rot. Bonds3

About (4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol

(4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol (PubChem CID 11078271) has the molecular formula C17H16F2OS2 and a molecular weight of 338.44 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol
PubChem CID11078271
Molecular FormulaC17H16F2OS2
Molecular Weight338.44 g/mol
Exact Mass338.06
IUPAC Name(4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol
SMILESOC(c1ccc(F)cc1)C1(c2ccc(F)cc2)SCCCS1
InChIInChI=1S/C17H16F2OS2/c18-14-6-2-12(3-7-14)16(20)17(21-10-1-11-22-17)13-4-8-15(19)9-5-13/h2-9,16,20H,1,10-11H2
InChIKeyANZQRAJZSCKEMP-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol 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

[4-(difluoromethoxy)-3-methylphenyl]-[2-(3,5-difluorophenyl)-1,3-dithian-2-yl]methanol
CID 90344419
1-(3,5-difluorophenyl)-2-(3,5-dimethylphenyl)-2-hydroxyethanone;[2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(3,5-dimethylphenyl)methanol
CID 159604187
[2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol
CID 146547595
(4-fluorophenyl)-(2-methyloxiran-2-yl)methanol
CID 139349129
1-[(4-fluorophenyl)-hydroxymethyl]cyclobutane-1-carbonitrile
CID 79137499
1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene
CID 84723635
(2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol
CID 105095767
dimethylamino-(4-fluorophenyl)methanol
CID 116909515
(3-fluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105078411
(2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105094902
3-(4-fluorophenyl)thian-3-ol
CID 83689164
2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol (CID 11078271) is (4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol is OC(c1ccc(F)cc1)C1(c2ccc(F)cc2)SCCCS1.
What is the InChIKey of (4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol?
The InChIKey is ANZQRAJZSCKEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2OS2/c18-14-6-2-12(3-7-14)16(20)17(21-10-1-11-22-17)13-4-8-15(19)9-5-13/h2-9,16,20H,1,10-11H2.
What are the key properties of (4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol?
(4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol has a molecular weight of 338.44 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-(4-fluorophenyl)-1,3-dithian-2-yl]methanol is sourced from PubChem (CID 11078271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).