ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide

C11H20F3NO2 — CID 164556022

IUPACethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide
SMILESCC.CCNC(=O)C1(C(F)(F)F)CCOCC1
InChIInChI=1S/C9H14F3NO2.C2H6/c1-2-13-7(14)8(9(10,11)12)3-5-15-6-4-8;1-2/h2-6H2,1H3,(H,13,14);1-2H3
InChIKeyYFJKHWCESTXOTD-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.51
Rot. Bonds2

About ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide

ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide (PubChem CID 164556022) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide.

Molecular Properties

Compound Nameethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide
PubChem CID164556022
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Nameethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide
SMILESCC.CCNC(=O)C1(C(F)(F)F)CCOCC1
InChIInChI=1S/C9H14F3NO2.C2H6/c1-2-13-7(14)8(9(10,11)12)3-5-15-6-4-8;1-2/h2-6H2,1H3,(H,13,14);1-2H3
InChIKeyYFJKHWCESTXOTD-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide?
The IUPAC name of ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide (CID 164556022) is ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide.
What is the SMILES notation for ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide?
The canonical SMILES for ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide is CC.CCNC(=O)C1(C(F)(F)F)CCOCC1.
What is the InChIKey of ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide?
The InChIKey is YFJKHWCESTXOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2.C2H6/c1-2-13-7(14)8(9(10,11)12)3-5-15-6-4-8;1-2/h2-6H2,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide?
ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide is sourced from PubChem (CID 164556022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).