N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide

C9H14F3NO2S — CID 20871006

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCC1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C9H14F3NO2S/c10-9(11,12)16(14,15)13-5-8-4-6-1-2-7(8)3-6/h6-8,13H,1-5H2
InChIKeyZFMVCPHEGFOVAL-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.86
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 20871006) has the molecular formula C9H14F3NO2S and a molecular weight of 257.28 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID20871006
Molecular FormulaC9H14F3NO2S
Molecular Weight257.28 g/mol
Exact Mass257.07
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCC1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C9H14F3NO2S/c10-9(11,12)16(14,15)13-5-8-4-6-1-2-7(8)3-6/h6-8,13H,1-5H2
InChIKeyZFMVCPHEGFOVAL-UHFFFAOYSA-N
XLogP1.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide (CID 20871006) is N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCC1CC2CCC1C2)C(F)(F)F.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ZFMVCPHEGFOVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2S/c10-9(11,12)16(14,15)13-5-8-4-6-1-2-7(8)3-6/h6-8,13H,1-5H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 257.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 20871006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).