N,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide

C11H21F2NOS — CID 15152842

IUPACN,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide
SMILESCCCCCSC(F)(F)C(=O)N(CC)CC
InChIInChI=1S/C11H21F2NOS/c1-4-7-8-9-16-11(12,13)10(15)14(5-2)6-3/h4-9H2,1-3H3
InChIKeyBUSPGEMTSRDJIA-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.37
Rot. Bonds8

About N,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide

N,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide (PubChem CID 15152842) has the molecular formula C11H21F2NOS and a molecular weight of 253.36 g/mol. Its IUPAC name is N,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide
PubChem CID15152842
Molecular FormulaC11H21F2NOS
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC NameN,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide
SMILESCCCCCSC(F)(F)C(=O)N(CC)CC
InChIInChI=1S/C11H21F2NOS/c1-4-7-8-9-16-11(12,13)10(15)14(5-2)6-3/h4-9H2,1-3H3
InChIKeyBUSPGEMTSRDJIA-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide?
The IUPAC name of N,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide (CID 15152842) is N,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide?
The canonical SMILES for N,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide is CCCCCSC(F)(F)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide?
The InChIKey is BUSPGEMTSRDJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NOS/c1-4-7-8-9-16-11(12,13)10(15)14(5-2)6-3/h4-9H2,1-3H3.
What are the key properties of N,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide?
N,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide has a molecular weight of 253.36 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide is sourced from PubChem (CID 15152842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).