2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid

C10H10FNO3 — CID 118627447

IUPAC2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1Cc2ccc(F)cc2ON1
InChIInChI=1S/C10H10FNO3/c11-7-2-1-6-3-8(5-10(13)14)12-15-9(6)4-7/h1-2,4,8,12H,3,5H2,(H,13,14)/t8-/m1/s1
InChIKeyHNLVMJQEUBFONI-MRVPVSSYSA-N
MW211.19 g/mol
LogP1.11
Rot. Bonds2

About 2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid

2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid (PubChem CID 118627447) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid
PubChem CID118627447
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid
SMILESO=C(O)C[C@H]1Cc2ccc(F)cc2ON1
InChIInChI=1S/C10H10FNO3/c11-7-2-1-6-3-8(5-10(13)14)12-15-9(6)4-7/h1-2,4,8,12H,3,5H2,(H,13,14)/t8-/m1/s1
InChIKeyHNLVMJQEUBFONI-MRVPVSSYSA-N
XLogP1.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloro-3,4-dihydro-2H-1,2-benzoxazin-3-yl)acetic acid
CID 118627446
2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid
CID 82401388
2-(6-fluoro-2,3-dihydro-1-benzofuran-2-yl)acetamide
CID 121345057
2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 93492412
2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
CID 84637590
2-(7-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
CID 84637580
2-(7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)acetic acid
CID 105483472
2-ethyl-6-fluoro-2,3-dihydro-1-benzofuran
CID 126553111
methyl 2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)acetate
CID 105480345
2-[(3R)-6-fluoro-1-hydroxy-3-methyl-3,4-dihydroisochromen-1-yl]acetic acid
CID 174262481
2-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)acetic acid
CID 83870307
2-[6-fluoro-3-(1-methylpiperidin-4-yl)-2H-1,2-benzoxazol-3-yl]acetic acid
CID 70471966

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid (CID 118627447) is 2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid is O=C(O)C[C@H]1Cc2ccc(F)cc2ON1.
What is the InChIKey of 2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid?
The InChIKey is HNLVMJQEUBFONI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-7-2-1-6-3-8(5-10(13)14)12-15-9(6)4-7/h1-2,4,8,12H,3,5H2,(H,13,14)/t8-/m1/s1.
What are the key properties of 2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid?
2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid has a molecular weight of 211.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-7-fluoro-3,4-dihydro-2H-1,2-benzoxazin-3-yl]acetic acid is sourced from PubChem (CID 118627447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).