N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide

C12H16FNOS — CID 10331926

IUPACN,N-diethyl-2-fluoro-2-phenylsulfanylacetamide
SMILESCCN(CC)C(=O)C(F)Sc1ccccc1
InChIInChI=1S/C12H16FNOS/c1-3-14(4-2)12(15)11(13)16-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKeyMFTPWQRTAGDQFL-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.94
Rot. Bonds5

About N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide

N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide (PubChem CID 10331926) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-fluoro-2-phenylsulfanylacetamide
PubChem CID10331926
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC NameN,N-diethyl-2-fluoro-2-phenylsulfanylacetamide
SMILESCCN(CC)C(=O)C(F)Sc1ccccc1
InChIInChI=1S/C12H16FNOS/c1-3-14(4-2)12(15)11(13)16-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKeyMFTPWQRTAGDQFL-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide?
The IUPAC name of N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide (CID 10331926) is N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide is CCN(CC)C(=O)C(F)Sc1ccccc1.
What is the InChIKey of N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide?
The InChIKey is MFTPWQRTAGDQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-3-14(4-2)12(15)11(13)16-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide?
N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide has a molecular weight of 241.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide is sourced from PubChem (CID 10331926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).