5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide

C10H18F2N2O3 — CID 114127400

IUPAC5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)NCCOCC(F)F)O1
InChIInChI=1S/C10H18F2N2O3/c11-9(12)6-16-4-3-14-10(15)8-2-1-7(5-13)17-8/h7-9H,1-6,13H2,(H,14,15)
InChIKeyMXHRSVPVNIRHLD-UHFFFAOYSA-N
MW252.26 g/mol
LogP-0.11
Rot. Bonds7

About 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide

5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide (PubChem CID 114127400) has the molecular formula C10H18F2N2O3 and a molecular weight of 252.26 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide
PubChem CID114127400
Molecular FormulaC10H18F2N2O3
Molecular Weight252.26 g/mol
Exact Mass252.13
IUPAC Name5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)NCCOCC(F)F)O1
InChIInChI=1S/C10H18F2N2O3/c11-9(12)6-16-4-3-14-10(15)8-2-1-7(5-13)17-8/h7-9H,1-6,13H2,(H,14,15)
InChIKeyMXHRSVPVNIRHLD-UHFFFAOYSA-N
XLogP-0.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide (CID 114127400) is 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide is NCC1CCC(C(=O)NCCOCC(F)F)O1.
What is the InChIKey of 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide?
The InChIKey is MXHRSVPVNIRHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O3/c11-9(12)6-16-4-3-14-10(15)8-2-1-7(5-13)17-8/h7-9H,1-6,13H2,(H,14,15).
What are the key properties of 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide?
5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide has a molecular weight of 252.26 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 114127400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).