2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid

C7H10FNO3 — CID 142715818

IUPAC2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid
SMILESO=C(O)CC1=NC(CF)COC1
InChIInChI=1S/C7H10FNO3/c8-2-6-4-12-3-5(9-6)1-7(10)11/h6H,1-4H2,(H,10,11)
InChIKeyMBPLEAXSIHNTCG-UHFFFAOYSA-N
MW175.16 g/mol
LogP0.27
Rot. Bonds3

About 2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid

2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid (PubChem CID 142715818) has the molecular formula C7H10FNO3 and a molecular weight of 175.16 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid
PubChem CID142715818
Molecular FormulaC7H10FNO3
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Name2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid
SMILESO=C(O)CC1=NC(CF)COC1
InChIInChI=1S/C7H10FNO3/c8-2-6-4-12-3-5(9-6)1-7(10)11/h6H,1-4H2,(H,10,11)
InChIKeyMBPLEAXSIHNTCG-UHFFFAOYSA-N
XLogP0.27
TPSA58.89 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 ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azanium 2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetate
CID 142715817
3-(4-Methyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid
CID 84650546

Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid?
The IUPAC name of 2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid (CID 142715818) is 2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid?
The canonical SMILES for 2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid is O=C(O)CC1=NC(CF)COC1.
What is the InChIKey of 2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid?
The InChIKey is MBPLEAXSIHNTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO3/c8-2-6-4-12-3-5(9-6)1-7(10)11/h6H,1-4H2,(H,10,11).
What are the key properties of 2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid?
2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid has a molecular weight of 175.16 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid is sourced from PubChem (CID 142715818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).