N-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C9H12F3NO3 — CID 142648427

IUPACN-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCCNC(=O)C1=C(C(F)(F)F)OCCO1
InChIInChI=1S/C9H12F3NO3/c1-2-3-13-8(14)6-7(9(10,11)12)16-5-4-15-6/h2-5H2,1H3,(H,13,14)
InChIKeyXJNUQDLSHUDNEO-UHFFFAOYSA-N
MW239.19 g/mol
LogP1.33
Rot. Bonds3

About N-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 142648427) has the molecular formula C9H12F3NO3 and a molecular weight of 239.19 g/mol. Its IUPAC name is N-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID142648427
Molecular FormulaC9H12F3NO3
Molecular Weight239.19 g/mol
Exact Mass239.08
IUPAC NameN-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCCNC(=O)C1=C(C(F)(F)F)OCCO1
InChIInChI=1S/C9H12F3NO3/c1-2-3-13-8(14)6-7(9(10,11)12)16-5-4-15-6/h2-5H2,1H3,(H,13,14)
InChIKeyXJNUQDLSHUDNEO-UHFFFAOYSA-N
XLogP1.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 142648427) is N-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is CCCNC(=O)C1=C(C(F)(F)F)OCCO1.
What is the InChIKey of N-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is XJNUQDLSHUDNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3/c1-2-3-13-8(14)6-7(9(10,11)12)16-5-4-15-6/h2-5H2,1H3,(H,13,14).
What are the key properties of N-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 239.19 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 142648427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).