(3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid

C9H8FNO3 — CID 55271064

IUPAC(3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid
SMILESN[C@H]1COc2cc(C(=O)O)cc(F)c21
InChIInChI=1S/C9H8FNO3/c10-5-1-4(9(12)13)2-7-8(5)6(11)3-14-7/h1-2,6H,3,11H2,(H,12,13)/t6-/m0/s1
InChIKeyCWSDVVNASCRCCL-LURJTMIESA-N
MW197.16 g/mol
LogP0.92
Rot. Bonds1

About (3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid

(3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid (PubChem CID 55271064) has the molecular formula C9H8FNO3 and a molecular weight of 197.16 g/mol. Its IUPAC name is (3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid
PubChem CID55271064
Molecular FormulaC9H8FNO3
Molecular Weight197.16 g/mol
Exact Mass197.05
IUPAC Name(3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid
SMILESN[C@H]1COc2cc(C(=O)O)cc(F)c21
InChIInChI=1S/C9H8FNO3/c10-5-1-4(9(12)13)2-7-8(5)6(11)3-14-7/h1-2,6H,3,11H2,(H,12,13)/t6-/m0/s1
InChIKeyCWSDVVNASCRCCL-LURJTMIESA-N
XLogP0.92
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid
CID 131128284
4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 75480738
(3S)-3-amino-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 55294350
(3R)-3-amino-6-chloro-2,3-dihydro-1-benzofuran-4-carboxylic acid
CID 131173106
(3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid
CID 130778504
(3S,4S)-4-amino-5-fluoro-7-methyl-3,4-dihydro-2H-chromen-3-ol
CID 130755556
3-amino-6-hydroxy-2,3-dihydro-1-benzofuran-4-carbonitrile
CID 130053994
(1aR,7bS)-5,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxylic acid
CID 67175553
2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 99984769
(3R)-5-bromo-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 99454508
(3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol
CID 131101542
(4S)-5,6,7-trifluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252159

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid?
The IUPAC name of (3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid (CID 55271064) is (3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid.
What is the SMILES notation for (3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid?
The canonical SMILES for (3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid is N[C@H]1COc2cc(C(=O)O)cc(F)c21.
What is the InChIKey of (3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid?
The InChIKey is CWSDVVNASCRCCL-LURJTMIESA-N. The full InChI is InChI=1S/C9H8FNO3/c10-5-1-4(9(12)13)2-7-8(5)6(11)3-14-7/h1-2,6H,3,11H2,(H,12,13)/t6-/m0/s1.
What are the key properties of (3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid?
(3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid has a molecular weight of 197.16 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid is sourced from PubChem (CID 55271064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).