N-(3-amino-2,2-difluoropropyl)oxolane-3-carboxamide

C8H14F2N2O2 — CID 114383749

IUPACN-(3-amino-2,2-difluoropropyl)oxolane-3-carboxamide
SMILESNCC(F)(F)CNC(=O)C1CCOC1
InChIInChI=1S/C8H14F2N2O2/c9-8(10,4-11)5-12-7(13)6-1-2-14-3-6/h6H,1-5,11H2,(H,12,13)
InChIKeyQJBCRNJMSFIEIJ-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.27
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)oxolane-3-carboxamide

N-(3-amino-2,2-difluoropropyl)oxolane-3-carboxamide (PubChem CID 114383749) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)oxolane-3-carboxamide
PubChem CID114383749
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC NameN-(3-amino-2,2-difluoropropyl)oxolane-3-carboxamide
SMILESNCC(F)(F)CNC(=O)C1CCOC1
InChIInChI=1S/C8H14F2N2O2/c9-8(10,4-11)5-12-7(13)6-1-2-14-3-6/h6H,1-5,11H2,(H,12,13)
InChIKeyQJBCRNJMSFIEIJ-UHFFFAOYSA-N
XLogP-0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)oxolane-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)oxolane-3-carboxamide (CID 114383749) is N-(3-amino-2,2-difluoropropyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)oxolane-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)oxolane-3-carboxamide is NCC(F)(F)CNC(=O)C1CCOC1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)oxolane-3-carboxamide?
The InChIKey is QJBCRNJMSFIEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c9-8(10,4-11)5-12-7(13)6-1-2-14-3-6/h6H,1-5,11H2,(H,12,13).
What are the key properties of N-(3-amino-2,2-difluoropropyl)oxolane-3-carboxamide?
N-(3-amino-2,2-difluoropropyl)oxolane-3-carboxamide has a molecular weight of 208.21 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)oxolane-3-carboxamide is sourced from PubChem (CID 114383749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).