N-(2,2,2-trifluoroethyl)oxane-2-carboxamide

C8H12F3NO2 — CID 139027115

IUPACN-(2,2,2-trifluoroethyl)oxane-2-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCCO1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)5-12-7(13)6-3-1-2-4-14-6/h6H,1-5H2,(H,12,13)
InChIKeyRRTWHNULZQSCMZ-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.23
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)oxane-2-carboxamide

N-(2,2,2-trifluoroethyl)oxane-2-carboxamide (PubChem CID 139027115) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)oxane-2-carboxamide
PubChem CID139027115
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC NameN-(2,2,2-trifluoroethyl)oxane-2-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCCO1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)5-12-7(13)6-3-1-2-4-14-6/h6H,1-5H2,(H,12,13)
InChIKeyRRTWHNULZQSCMZ-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)oxane-2-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)oxane-2-carboxamide (CID 139027115) is N-(2,2,2-trifluoroethyl)oxane-2-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)oxane-2-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)oxane-2-carboxamide is O=C(NCC(F)(F)F)C1CCCCO1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)oxane-2-carboxamide?
The InChIKey is RRTWHNULZQSCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)5-12-7(13)6-3-1-2-4-14-6/h6H,1-5H2,(H,12,13).
What are the key properties of N-(2,2,2-trifluoroethyl)oxane-2-carboxamide?
N-(2,2,2-trifluoroethyl)oxane-2-carboxamide has a molecular weight of 211.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)oxane-2-carboxamide is sourced from PubChem (CID 139027115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).