2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide

C11H20F3NOS — CID 86835616

IUPAC2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESCCCCSC(C)C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C11H20F3NOS/c1-4-5-8-17-9(2)10(16)15(3)7-6-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeySPZYFCWWMMDTPN-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.32
Rot. Bonds7

About 2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide

2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 86835616) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID86835616
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC Name2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESCCCCSC(C)C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C11H20F3NOS/c1-4-5-8-17-9(2)10(16)15(3)7-6-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeySPZYFCWWMMDTPN-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.32
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 2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of 2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide (CID 86835616) is 2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for 2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for 2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide is CCCCSC(C)C(=O)N(C)CCC(F)(F)F.
What is the InChIKey of 2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is SPZYFCWWMMDTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-4-5-8-17-9(2)10(16)15(3)7-6-11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of 2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 271.35 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-methyl-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 86835616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).