4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide

C10H18F2N2O3 — CID 107479263

IUPAC4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide
SMILESNC1(C(=O)N(CCO)CC(F)F)CCOCC1
InChIInChI=1S/C10H18F2N2O3/c11-8(12)7-14(3-4-15)9(16)10(13)1-5-17-6-2-10/h8,15H,1-7,13H2
InChIKeyXTXDAIUAPNKGBY-UHFFFAOYSA-N
MW252.26 g/mol
LogP-0.42
Rot. Bonds5

About 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide

4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide (PubChem CID 107479263) has the molecular formula C10H18F2N2O3 and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide
PubChem CID107479263
Molecular FormulaC10H18F2N2O3
Molecular Weight252.26 g/mol
Exact Mass252.13
IUPAC Name4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide
SMILESNC1(C(=O)N(CCO)CC(F)F)CCOCC1
InChIInChI=1S/C10H18F2N2O3/c11-8(12)7-14(3-4-15)9(16)10(13)1-5-17-6-2-10/h8,15H,1-7,13H2
InChIKeyXTXDAIUAPNKGBY-UHFFFAOYSA-N
XLogP-0.42
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide (CID 107479263) is 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide is NC1(C(=O)N(CCO)CC(F)F)CCOCC1.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide?
The InChIKey is XTXDAIUAPNKGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O3/c11-8(12)7-14(3-4-15)9(16)10(13)1-5-17-6-2-10/h8,15H,1-7,13H2.
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide?
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide has a molecular weight of 252.26 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide is sourced from PubChem (CID 107479263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).