(2-fluoro-4-methylphenoxy)methanesulfinamide

C8H10FNO2S — CID 142961172

IUPAC(2-fluoro-4-methylphenoxy)methanesulfinamide
SMILESCc1ccc(OCS(N)=O)c(F)c1
InChIInChI=1S/C8H10FNO2S/c1-6-2-3-8(7(9)4-6)12-5-13(10)11/h2-4H,5,10H2,1H3
InChIKeyPPYYJTDZBDGQCE-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.09
Rot. Bonds3

About (2-fluoro-4-methylphenoxy)methanesulfinamide

(2-fluoro-4-methylphenoxy)methanesulfinamide (PubChem CID 142961172) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is (2-fluoro-4-methylphenoxy)methanesulfinamide.

Molecular Properties

Compound Name(2-fluoro-4-methylphenoxy)methanesulfinamide
PubChem CID142961172
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name(2-fluoro-4-methylphenoxy)methanesulfinamide
SMILESCc1ccc(OCS(N)=O)c(F)c1
InChIInChI=1S/C8H10FNO2S/c1-6-2-3-8(7(9)4-6)12-5-13(10)11/h2-4H,5,10H2,1H3
InChIKeyPPYYJTDZBDGQCE-UHFFFAOYSA-N
XLogP1.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
2-(2-fluoro-4-methylphenoxy)ethanamine
CID 83695309
ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
CID 145227313
2-(2-fluoro-4-methylphenoxy)ethanesulfonic acid
CID 21333677
2-(2-fluoro-4-methylphenoxy)ethyl-trimethylazanium iodide
CID 157057570
triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide
CID 157188616
1-difluorophosphoryloxy-2-fluoro-4-methylbenzene
CID 87221961
2-fluoro-4-methyl-1-propoxybenzene;2,2,2-trifluoroacetate
CID 54317082
1-[2-(2-fluoro-4-methylphenoxy)ethyl]pyridin-1-ium
CID 21333604
N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 115678718
N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine
CID 59873231
1-butan-2-yloxy-2-fluoro-4-methylbenzene
CID 59391433

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenoxy)methanesulfinamide?
The IUPAC name of (2-fluoro-4-methylphenoxy)methanesulfinamide (CID 142961172) is (2-fluoro-4-methylphenoxy)methanesulfinamide.
What is the SMILES notation for (2-fluoro-4-methylphenoxy)methanesulfinamide?
The canonical SMILES for (2-fluoro-4-methylphenoxy)methanesulfinamide is Cc1ccc(OCS(N)=O)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenoxy)methanesulfinamide?
The InChIKey is PPYYJTDZBDGQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-6-2-3-8(7(9)4-6)12-5-13(10)11/h2-4H,5,10H2,1H3.
What are the key properties of (2-fluoro-4-methylphenoxy)methanesulfinamide?
(2-fluoro-4-methylphenoxy)methanesulfinamide has a molecular weight of 203.24 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenoxy)methanesulfinamide is sourced from PubChem (CID 142961172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).