N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C8H10F3NO4 — CID 103726165

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1=COCCO1
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)6(13)3-12-7(14)5-4-15-1-2-16-5/h4,6,13H,1-3H2,(H,12,14)
InChIKeyVHINVMWKMFUHRD-UHFFFAOYSA-N
MW241.16 g/mol
LogP-0.09
Rot. Bonds3

About N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 103726165) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID103726165
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1=COCCO1
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)6(13)3-12-7(14)5-4-15-1-2-16-5/h4,6,13H,1-3H2,(H,12,14)
InChIKeyVHINVMWKMFUHRD-UHFFFAOYSA-N
XLogP-0.09
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 103726165) is N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NCC(O)C(F)(F)F)C1=COCCO1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is VHINVMWKMFUHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c9-8(10,11)6(13)3-12-7(14)5-4-15-1-2-16-5/h4,6,13H,1-3H2,(H,12,14).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 241.16 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 103726165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).