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

C14H28F3NO2 — CID 164555847

IUPACethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide
SMILESCC.CC.CCCNC(=O)C1(C(F)(F)F)CCOCC1
InChIInChI=1S/C10H16F3NO2.2C2H6/c1-2-5-14-8(15)9(10(11,12)13)3-6-16-7-4-9;2*1-2/h2-7H2,1H3,(H,14,15);2*1-2H3
InChIKeyABHRHGSHYGSXFX-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.92
Rot. Bonds3

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

ethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide (PubChem CID 164555847) has the molecular formula C14H28F3NO2 and a molecular weight of 299.38 g/mol. Its IUPAC name is ethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide.

Molecular Properties

Compound Nameethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide
PubChem CID164555847
Molecular FormulaC14H28F3NO2
Molecular Weight299.38 g/mol
Exact Mass299.21
IUPAC Nameethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide
SMILESCC.CC.CCCNC(=O)C1(C(F)(F)F)CCOCC1
InChIInChI=1S/C10H16F3NO2.2C2H6/c1-2-5-14-8(15)9(10(11,12)13)3-6-16-7-4-9;2*1-2/h2-7H2,1H3,(H,14,15);2*1-2H3
InChIKeyABHRHGSHYGSXFX-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide?
The IUPAC name of ethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide (CID 164555847) is ethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide.
What is the SMILES notation for ethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide?
The canonical SMILES for ethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide is CC.CC.CCCNC(=O)C1(C(F)(F)F)CCOCC1.
What is the InChIKey of ethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide?
The InChIKey is ABHRHGSHYGSXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2.2C2H6/c1-2-5-14-8(15)9(10(11,12)13)3-6-16-7-4-9;2*1-2/h2-7H2,1H3,(H,14,15);2*1-2H3.
What are the key properties of ethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide?
ethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide is sourced from PubChem (CID 164555847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).