N-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide

C4H8F3NOS — CID 144531930

IUPACN-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide
SMILESCN(CC(F)(F)F)S(C)=O
InChIInChI=1S/C4H8F3NOS/c1-8(10(2)9)3-4(5,6)7/h3H2,1-2H3
InChIKeyQYLKVEYPPYHIDN-UHFFFAOYSA-N
MW175.17 g/mol
LogP0.77
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide

N-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide (PubChem CID 144531930) has the molecular formula C4H8F3NOS and a molecular weight of 175.17 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide
PubChem CID144531930
Molecular FormulaC4H8F3NOS
Molecular Weight175.17 g/mol
Exact Mass175.03
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide
SMILESCN(CC(F)(F)F)S(C)=O
InChIInChI=1S/C4H8F3NOS/c1-8(10(2)9)3-4(5,6)7/h3H2,1-2H3
InChIKeyQYLKVEYPPYHIDN-UHFFFAOYSA-N
XLogP0.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide (CID 144531930) is N-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide is CN(CC(F)(F)F)S(C)=O.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide?
The InChIKey is QYLKVEYPPYHIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NOS/c1-8(10(2)9)3-4(5,6)7/h3H2,1-2H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide?
N-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide has a molecular weight of 175.17 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide is sourced from PubChem (CID 144531930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).