N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide

C8H14F3NO3S — CID 142294702

IUPACN-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide
SMILESCCNC(=O)CCS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO3S/c1-2-12-7(13)3-5-16(14,15)6-4-8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyRSMFIXABFWPMRW-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.88
Rot. Bonds6

About N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide

N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide (PubChem CID 142294702) has the molecular formula C8H14F3NO3S and a molecular weight of 261.26 g/mol. Its IUPAC name is N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide
PubChem CID142294702
Molecular FormulaC8H14F3NO3S
Molecular Weight261.26 g/mol
Exact Mass261.06
IUPAC NameN-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide
SMILESCCNC(=O)CCS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO3S/c1-2-12-7(13)3-5-16(14,15)6-4-8(9,10)11/h2-6H2,1H3,(H,12,13)
InChIKeyRSMFIXABFWPMRW-UHFFFAOYSA-N
XLogP0.88
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide?
The IUPAC name of N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide (CID 142294702) is N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide.
What is the SMILES notation for N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide?
The canonical SMILES for N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide is CCNC(=O)CCS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide?
The InChIKey is RSMFIXABFWPMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3S/c1-2-12-7(13)3-5-16(14,15)6-4-8(9,10)11/h2-6H2,1H3,(H,12,13).
What are the key properties of N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide?
N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide has a molecular weight of 261.26 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide is sourced from PubChem (CID 142294702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).