3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide

C10H13F3N2O2 — CID 175889028

IUPAC3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)C1C2CCC(C2)C1NC(=O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)9(17)15-7-5-2-1-4(3-5)6(7)8(14)16/h4-7H,1-3H2,(H2,14,16)(H,15,17)
InChIKeyALPKJKYZNJBNHD-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.56
Rot. Bonds2

About 3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide

3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 175889028) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID175889028
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)C1C2CCC(C2)C1NC(=O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)9(17)15-7-5-2-1-4(3-5)6(7)8(14)16/h4-7H,1-3H2,(H2,14,16)(H,15,17)
InChIKeyALPKJKYZNJBNHD-UHFFFAOYSA-N
XLogP0.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide (CID 175889028) is 3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide is NC(=O)C1C2CCC(C2)C1NC(=O)C(F)(F)F.
What is the InChIKey of 3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ALPKJKYZNJBNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c11-10(12,13)9(17)15-7-5-2-1-4(3-5)6(7)8(14)16/h4-7H,1-3H2,(H2,14,16)(H,15,17).
What are the key properties of 3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide?
3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 250.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,2-trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 175889028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).