methyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate

C9H9F2NO2S — CID 1335186

IUPACmethyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C9H9F2NO2S/c1-14-9(13)12-6-2-4-7(5-3-6)15-8(10)11/h2-5,8H,1H3,(H,12,13)
InChIKeySIAMOWXZABBSAW-UHFFFAOYSA-N
MW233.24 g/mol
LogP3.18
Rot. Bonds3

About methyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate

methyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate (PubChem CID 1335186) has the molecular formula C9H9F2NO2S and a molecular weight of 233.24 g/mol. Its IUPAC name is methyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate
PubChem CID1335186
Molecular FormulaC9H9F2NO2S
Molecular Weight233.24 g/mol
Exact Mass233.03
IUPAC Namemethyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C9H9F2NO2S/c1-14-9(13)12-6-2-4-7(5-3-6)15-8(10)11/h2-5,8H,1H3,(H,12,13)
InChIKeySIAMOWXZABBSAW-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate?
The IUPAC name of methyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate (CID 1335186) is methyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate is COC(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of methyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate?
The InChIKey is SIAMOWXZABBSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2S/c1-14-9(13)12-6-2-4-7(5-3-6)15-8(10)11/h2-5,8H,1H3,(H,12,13).
What are the key properties of methyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate?
methyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate has a molecular weight of 233.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(difluoromethylsulfanyl)phenyl]carbamate is sourced from PubChem (CID 1335186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).