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

C9H16F2N2O2 — CID 114383371

IUPACN-(3-amino-2,2-difluoropropyl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC(F)(F)CN
InChIInChI=1S/C9H16F2N2O2/c1-6-7(2-3-15-6)8(14)13-5-9(10,11)4-12/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeyVXGYADUMOUYSMC-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.12
Rot. Bonds4

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

N-(3-amino-2,2-difluoropropyl)-2-methyloxolane-3-carboxamide (PubChem CID 114383371) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-methyloxolane-3-carboxamide
PubChem CID114383371
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC(F)(F)CN
InChIInChI=1S/C9H16F2N2O2/c1-6-7(2-3-15-6)8(14)13-5-9(10,11)4-12/h6-7H,2-5,12H2,1H3,(H,13,14)
InChIKeyVXGYADUMOUYSMC-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.12
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)-2-methyloxolane-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-methyloxolane-3-carboxamide (CID 114383371) is N-(3-amino-2,2-difluoropropyl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-methyloxolane-3-carboxamide?
The InChIKey is VXGYADUMOUYSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c1-6-7(2-3-15-6)8(14)13-5-9(10,11)4-12/h6-7H,2-5,12H2,1H3,(H,13,14).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-methyloxolane-3-carboxamide?
N-(3-amino-2,2-difluoropropyl)-2-methyloxolane-3-carboxamide has a molecular weight of 222.23 g/mol, XLogP of 0.12, 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)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 114383371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).