3-amino-N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide

C11H18F2N2O2 — CID 114154225

IUPAC3-amino-N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H18F2N2O2/c12-11(13,5-16)4-15-10(17)8-6-1-2-7(3-6)9(8)14/h6-9,16H,1-5,14H2,(H,15,17)
InChIKeyOIHMZFBCQJRYSE-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.10
Rot. Bonds4

About 3-amino-N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 114154225) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID114154225
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name3-amino-N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H18F2N2O2/c12-11(13,5-16)4-15-10(17)8-6-1-2-7(3-6)9(8)14/h6-9,16H,1-5,14H2,(H,15,17)
InChIKeyOIHMZFBCQJRYSE-UHFFFAOYSA-N
XLogP0.10
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 114154225) is 3-amino-N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NCC(F)(F)CO.
What is the InChIKey of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OIHMZFBCQJRYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c12-11(13,5-16)4-15-10(17)8-6-1-2-7(3-6)9(8)14/h6-9,16H,1-5,14H2,(H,15,17).
What are the key properties of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 248.27 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 114154225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).