(2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol

C11H12F2OS2 — CID 79973241

IUPAC(2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol
SMILESOC(c1cccc(F)c1F)C1CSCCS1
InChIInChI=1S/C11H12F2OS2/c12-8-3-1-2-7(10(8)13)11(14)9-6-15-4-5-16-9/h1-3,9,11,14H,4-6H2
InChIKeyUEJCKSZZFLXTIC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.85
Rot. Bonds2

About (2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol

(2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol (PubChem CID 79973241) has the molecular formula C11H12F2OS2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol
PubChem CID79973241
Molecular FormulaC11H12F2OS2
Molecular Weight262.35 g/mol
Exact Mass262.03
IUPAC Name(2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol
SMILESOC(c1cccc(F)c1F)C1CSCCS1
InChIInChI=1S/C11H12F2OS2/c12-8-3-1-2-7(10(8)13)11(14)9-6-15-4-5-16-9/h1-3,9,11,14H,4-6H2
InChIKeyUEJCKSZZFLXTIC-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dithian-2-yl(naphthalen-1-yl)methanol
CID 79973039
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572
2-[(2,3-difluorophenyl)-fluoromethyl]thiolane
CID 174584400
1,4-dithian-2-yl-(3-methoxyphenyl)methanol
CID 79972446
(2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol
CID 105484688
1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methanol
CID 79973042
(R)-(2,3-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 148871488
2-(2-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethanamine
CID 112653875
N-[(3-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]propan-1-amine
CID 106645897
(3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol
CID 107359583
2-(2-bromo-4-fluorophenyl)-1-(1,4-dithian-2-yl)ethanol
CID 79971539
1,4-dithian-2-yl-(3-fluoro-4-pyridinyl)methanamine
CID 104738535

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol?
The IUPAC name of (2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol (CID 79973241) is (2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol.
What is the SMILES notation for (2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol?
The canonical SMILES for (2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol is OC(c1cccc(F)c1F)C1CSCCS1.
What is the InChIKey of (2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol?
The InChIKey is UEJCKSZZFLXTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2OS2/c12-8-3-1-2-7(10(8)13)11(14)9-6-15-4-5-16-9/h1-3,9,11,14H,4-6H2.
What are the key properties of (2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol?
(2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol has a molecular weight of 262.35 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol is sourced from PubChem (CID 79973241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).