N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-3-carboxamide

C10H17F2NO3 — CID 107482878

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-3-carboxamide
SMILESO=C(C1CCCOC1)N(CCO)CC(F)F
InChIInChI=1S/C10H17F2NO3/c11-9(12)6-13(3-4-14)10(15)8-2-1-5-16-7-8/h8-9,14H,1-7H2
InChIKeyFRKQLVLYIRHYSA-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.50
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-3-carboxamide (PubChem CID 107482878) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-3-carboxamide
PubChem CID107482878
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-3-carboxamide
SMILESO=C(C1CCCOC1)N(CCO)CC(F)F
InChIInChI=1S/C10H17F2NO3/c11-9(12)6-13(3-4-14)10(15)8-2-1-5-16-7-8/h8-9,14H,1-7H2
InChIKeyFRKQLVLYIRHYSA-UHFFFAOYSA-N
XLogP0.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-3-carboxamide (CID 107482878) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-3-carboxamide is O=C(C1CCCOC1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-3-carboxamide?
The InChIKey is FRKQLVLYIRHYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c11-9(12)6-13(3-4-14)10(15)8-2-1-5-16-7-8/h8-9,14H,1-7H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-3-carboxamide has a molecular weight of 237.25 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-3-carboxamide is sourced from PubChem (CID 107482878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).