N-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-2,2,2-trifluoroacetamide

C10H14F3NO — CID 51425944

IUPACN-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC[C@H]1C[C@@H]2CC[C@H]1C2)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)/t6-,7+,8-/m1/s1
InChIKeyFVDCYOGKIQCTKH-GJMOJQLCSA-N
MW221.22 g/mol
LogP2.10
Rot. Bonds2

About N-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-2,2,2-trifluoroacetamide

N-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 51425944) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is N-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID51425944
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC[C@H]1C[C@@H]2CC[C@H]1C2)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)/t6-,7+,8-/m1/s1
InChIKeyFVDCYOGKIQCTKH-GJMOJQLCSA-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-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-2,2,2-trifluoroacetamide (CID 51425944) is N-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-2,2,2-trifluoroacetamide is O=C(NC[C@H]1C[C@@H]2CC[C@H]1C2)C(F)(F)F.
What is the InChIKey of N-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is FVDCYOGKIQCTKH-GJMOJQLCSA-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)/t6-,7+,8-/m1/s1.
What are the key properties of N-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-2,2,2-trifluoroacetamide?
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-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-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 51425944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).