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

C7H12F2N2O2 — CID 115406836

IUPAC3-amino-N-(2,2-difluoroethyl)oxolane-3-carboxamide
SMILESNC1(C(=O)NCC(F)F)CCOC1
InChIInChI=1S/C7H12F2N2O2/c8-5(9)3-11-6(12)7(10)1-2-13-4-7/h5H,1-4,10H2,(H,11,12)
InChIKeyYCLHJENKRSHUTB-UHFFFAOYSA-N
MW194.18 g/mol
LogP-0.51
Rot. Bonds3

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

3-amino-N-(2,2-difluoroethyl)oxolane-3-carboxamide (PubChem CID 115406836) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)oxolane-3-carboxamide
PubChem CID115406836
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name3-amino-N-(2,2-difluoroethyl)oxolane-3-carboxamide
SMILESNC1(C(=O)NCC(F)F)CCOC1
InChIInChI=1S/C7H12F2N2O2/c8-5(9)3-11-6(12)7(10)1-2-13-4-7/h5H,1-4,10H2,(H,11,12)
InChIKeyYCLHJENKRSHUTB-UHFFFAOYSA-N
XLogP-0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
3-(2,2,2-Trifluoroethylamino)oxolane-3-carboxamide
CID 63335623
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64890960
3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64890999
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891155
3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891192
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891355
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
CID 64891625
3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
CID 64891757
3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64892150
3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 64892203
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64892558

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)oxolane-3-carboxamide (CID 115406836) is 3-amino-N-(2,2-difluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)oxolane-3-carboxamide is NC1(C(=O)NCC(F)F)CCOC1.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)oxolane-3-carboxamide?
The InChIKey is YCLHJENKRSHUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c8-5(9)3-11-6(12)7(10)1-2-13-4-7/h5H,1-4,10H2,(H,11,12).
What are the key properties of 3-amino-N-(2,2-difluoroethyl)oxolane-3-carboxamide?
3-amino-N-(2,2-difluoroethyl)oxolane-3-carboxamide has a molecular weight of 194.18 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 115406836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).