N-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,2-trifluoroacetamide

C10H14F3NO — CID 4100125

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c11-10(12,13)9(15)14-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,14,15)
InChIKeyFVDCYOGKIQCTKH-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.10
Rot. Bonds2

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

N-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,2-trifluoroacetamide (PubChem CID 4100125) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,2-trifluoroacetamide
PubChem CID4100125
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c11-10(12,13)9(15)14-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,14,15)
InChIKeyFVDCYOGKIQCTKH-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,2-trifluoroacetamide (CID 4100125) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,2-trifluoroacetamide is O=C(NCC1CC2CCC1C2)C(F)(F)F.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,2-trifluoroacetamide?
The InChIKey is FVDCYOGKIQCTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c11-10(12,13)9(15)14-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,14,15).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,2-trifluoroacetamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,2-trifluoroacetamide has a molecular weight of 221.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 4100125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).