[2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol

C19H20F2OS2 — CID 146547595

IUPAC[2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol
SMILESCc1cccc(C(O)C2(c3cc(F)cc(F)c3)SCCCS2)c1C
InChIInChI=1S/C19H20F2OS2/c1-12-5-3-6-17(13(12)2)18(22)19(23-7-4-8-24-19)14-9-15(20)11-16(21)10-14/h3,5-6,9-11,18,22H,4,7-8H2,1-2H3
InChIKeyDFIFUZJLMBEWNS-UHFFFAOYSA-N
MW366.50 g/mol
LogP5.34
Rot. Bonds3

About [2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol

[2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol (PubChem CID 146547595) has the molecular formula C19H20F2OS2 and a molecular weight of 366.50 g/mol. Its IUPAC name is [2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol.

Molecular Properties

Compound Name[2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol
PubChem CID146547595
Molecular FormulaC19H20F2OS2
Molecular Weight366.50 g/mol
Exact Mass366.09
IUPAC Name[2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol
SMILESCc1cccc(C(O)C2(c3cc(F)cc(F)c3)SCCCS2)c1C
InChIInChI=1S/C19H20F2OS2/c1-12-5-3-6-17(13(12)2)18(22)19(23-7-4-8-24-19)14-9-15(20)11-16(21)10-14/h3,5-6,9-11,18,22H,4,7-8H2,1-2H3
InChIKeyDFIFUZJLMBEWNS-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol?
The IUPAC name of [2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol (CID 146547595) is [2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol.
What is the SMILES notation for [2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol?
The canonical SMILES for [2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol is Cc1cccc(C(O)C2(c3cc(F)cc(F)c3)SCCCS2)c1C.
What is the InChIKey of [2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol?
The InChIKey is DFIFUZJLMBEWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2OS2/c1-12-5-3-6-17(13(12)2)18(22)19(23-7-4-8-24-19)14-9-15(20)11-16(21)10-14/h3,5-6,9-11,18,22H,4,7-8H2,1-2H3.
What are the key properties of [2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol?
[2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol has a molecular weight of 366.50 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-difluorophenyl)-1,3-dithian-2-yl]-(2,3-dimethylphenyl)methanol is sourced from PubChem (CID 146547595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).