N-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide

C9H15F2NO2 — CID 126786343

IUPACN-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide
SMILESCC1(C(=O)NCC(F)F)CCCOC1
InChIInChI=1S/C9H15F2NO2/c1-9(3-2-4-14-6-9)8(13)12-5-7(10)11/h7H,2-6H2,1H3,(H,12,13)
InChIKeyCAQLHUUZICBPGS-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.18
Rot. Bonds3

About N-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide

N-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide (PubChem CID 126786343) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide
PubChem CID126786343
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC NameN-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide
SMILESCC1(C(=O)NCC(F)F)CCCOC1
InChIInChI=1S/C9H15F2NO2/c1-9(3-2-4-14-6-9)8(13)12-5-7(10)11/h7H,2-6H2,1H3,(H,12,13)
InChIKeyCAQLHUUZICBPGS-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide (CID 126786343) is N-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide is CC1(C(=O)NCC(F)F)CCCOC1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide?
The InChIKey is CAQLHUUZICBPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-9(3-2-4-14-6-9)8(13)12-5-7(10)11/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of N-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide?
N-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide has a molecular weight of 207.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-methyloxane-3-carboxamide is sourced from PubChem (CID 126786343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).