1,1,1-trifluoro-N,N-dipropylmethanesulfonamide

C7H14F3NO2S — CID 125497703

IUPAC1,1,1-trifluoro-N,N-dipropylmethanesulfonamide
SMILESCCCN(CCC)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-3-5-11(6-4-2)14(12,13)7(8,9)10/h3-6H2,1-2H3
InChIKeyCYJYNSKNVRRNIL-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.96
Rot. Bonds5

About 1,1,1-trifluoro-N,N-dipropylmethanesulfonamide

1,1,1-trifluoro-N,N-dipropylmethanesulfonamide (PubChem CID 125497703) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,N-dipropylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N,N-dipropylmethanesulfonamide
PubChem CID125497703
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC Name1,1,1-trifluoro-N,N-dipropylmethanesulfonamide
SMILESCCCN(CCC)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-3-5-11(6-4-2)14(12,13)7(8,9)10/h3-6H2,1-2H3
InChIKeyCYJYNSKNVRRNIL-UHFFFAOYSA-N
XLogP1.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N,N-dipropylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N,N-dipropylmethanesulfonamide (CID 125497703) is 1,1,1-trifluoro-N,N-dipropylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N,N-dipropylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N,N-dipropylmethanesulfonamide is CCCN(CCC)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,N-dipropylmethanesulfonamide?
The InChIKey is CYJYNSKNVRRNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-3-5-11(6-4-2)14(12,13)7(8,9)10/h3-6H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N,N-dipropylmethanesulfonamide?
1,1,1-trifluoro-N,N-dipropylmethanesulfonamide has a molecular weight of 233.25 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,N-dipropylmethanesulfonamide is sourced from PubChem (CID 125497703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).