methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate

C10H10F2O3S — CID 63835391

IUPACmethyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
SMILESCOC(=O)CSc1c(F)cc(CO)cc1F
InChIInChI=1S/C10H10F2O3S/c1-15-9(14)5-16-10-7(11)2-6(4-13)3-8(10)12/h2-3,13H,4-5H2,1H3
InChIKeyYRTDKYNPVITUKZ-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.72
Rot. Bonds4

About methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate

methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate (PubChem CID 63835391) has the molecular formula C10H10F2O3S and a molecular weight of 248.25 g/mol. Its IUPAC name is methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
PubChem CID63835391
Molecular FormulaC10H10F2O3S
Molecular Weight248.25 g/mol
Exact Mass248.03
IUPAC Namemethyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
SMILESCOC(=O)CSc1c(F)cc(CO)cc1F
InChIInChI=1S/C10H10F2O3S/c1-15-9(14)5-16-10-7(11)2-6(4-13)3-8(10)12/h2-3,13H,4-5H2,1H3
InChIKeyYRTDKYNPVITUKZ-UHFFFAOYSA-N
XLogP1.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
CID 63835483
methyl 2-[3-fluoro-5-(hydroxymethyl)phenyl]sulfanylacetate
CID 106533869
2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 114234861
(3,5-difluoro-4-propylsulfanylphenyl)methanol
CID 63814984
(4-tert-butylsulfanyl-3,5-difluorophenyl)methanol
CID 63813506
methyl 2-(4-bromo-2-fluoro-6-nitrophenyl)sulfanylacetate
CID 166120728
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate
CID 79888346
methyl 2-[[5-(hydroxymethyl)-2-pyridinyl]sulfanyl]acetate
CID 80650604
tert-butyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
CID 116687870
methyl 2-[4-chloro-2-(hydroxymethyl)phenyl]sulfanylacetate
CID 114865527
methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
CID 117305103
methyl 2-(2-amino-5-fluoro-4-iodophenyl)sulfanylacetate
CID 66102332

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate?
The IUPAC name of methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate (CID 63835391) is methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate.
What is the SMILES notation for methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate?
The canonical SMILES for methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate is COC(=O)CSc1c(F)cc(CO)cc1F.
What is the InChIKey of methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate?
The InChIKey is YRTDKYNPVITUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3S/c1-15-9(14)5-16-10-7(11)2-6(4-13)3-8(10)12/h2-3,13H,4-5H2,1H3.
What are the key properties of methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate?
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate has a molecular weight of 248.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate is sourced from PubChem (CID 63835391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).