N-(difluoromethylsulfanyl)-N-methylaniline

C8H9F2NS — CID 91537539

IUPACN-(difluoromethylsulfanyl)-N-methylaniline
SMILESCN(SC(F)F)c1ccccc1
InChIInChI=1S/C8H9F2NS/c1-11(12-8(9)10)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyMAKRHDMCUMJHSB-UHFFFAOYSA-N
MW189.23 g/mol
LogP2.99
Rot. Bonds3

About N-(difluoromethylsulfanyl)-N-methylaniline

N-(difluoromethylsulfanyl)-N-methylaniline (PubChem CID 91537539) has the molecular formula C8H9F2NS and a molecular weight of 189.23 g/mol. Its IUPAC name is N-(difluoromethylsulfanyl)-N-methylaniline.

Molecular Properties

Compound NameN-(difluoromethylsulfanyl)-N-methylaniline
PubChem CID91537539
Molecular FormulaC8H9F2NS
Molecular Weight189.23 g/mol
Exact Mass189.04
IUPAC NameN-(difluoromethylsulfanyl)-N-methylaniline
SMILESCN(SC(F)F)c1ccccc1
InChIInChI=1S/C8H9F2NS/c1-11(12-8(9)10)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyMAKRHDMCUMJHSB-UHFFFAOYSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethylsulfanyl)-N-methylaniline?
The IUPAC name of N-(difluoromethylsulfanyl)-N-methylaniline (CID 91537539) is N-(difluoromethylsulfanyl)-N-methylaniline.
What is the SMILES notation for N-(difluoromethylsulfanyl)-N-methylaniline?
The canonical SMILES for N-(difluoromethylsulfanyl)-N-methylaniline is CN(SC(F)F)c1ccccc1.
What is the InChIKey of N-(difluoromethylsulfanyl)-N-methylaniline?
The InChIKey is MAKRHDMCUMJHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NS/c1-11(12-8(9)10)7-5-3-2-4-6-7/h2-6,8H,1H3.
What are the key properties of N-(difluoromethylsulfanyl)-N-methylaniline?
N-(difluoromethylsulfanyl)-N-methylaniline has a molecular weight of 189.23 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethylsulfanyl)-N-methylaniline is sourced from PubChem (CID 91537539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).