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

C7H10FNO3 — CID 130626891

IUPACN-(2-fluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCCF)C1=COCCO1
InChIInChI=1S/C7H10FNO3/c8-1-2-9-7(10)6-5-11-3-4-12-6/h5H,1-4H2,(H,9,10)
InChIKeyAJDDQAFEFBDAHN-UHFFFAOYSA-N
MW175.16 g/mol
LogP-0.04
Rot. Bonds3

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

N-(2-fluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 130626891) has the molecular formula C7H10FNO3 and a molecular weight of 175.16 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID130626891
Molecular FormulaC7H10FNO3
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC NameN-(2-fluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCCF)C1=COCCO1
InChIInChI=1S/C7H10FNO3/c8-1-2-9-7(10)6-5-11-3-4-12-6/h5H,1-4H2,(H,9,10)
InChIKeyAJDDQAFEFBDAHN-UHFFFAOYSA-N
XLogP-0.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 2359181
N-propyl-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 142648427
N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103726165
N-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103770062
N-(3-amino-2,2-difluoropropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 114383540
N-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 130652672
2-ethoxy-N-ethylprop-2-enamide
CID 55288278
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 13088123
N-(2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 43389060
N-[3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 43600685
N-[3-(ethylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 43601588
N-(3-methoxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 47005425

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 130626891) is N-(2-fluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NCCF)C1=COCCO1.
What is the InChIKey of N-(2-fluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is AJDDQAFEFBDAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO3/c8-1-2-9-7(10)6-5-11-3-4-12-6/h5H,1-4H2,(H,9,10).
What are the key properties of N-(2-fluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-fluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 175.16 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 130626891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).