2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C10H8F2O3 — CID 99984769

IUPAC2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESO=C(O)C[C@H]1COc2cc(F)c(F)cc21
InChIInChI=1S/C10H8F2O3/c11-7-2-6-5(1-10(13)14)4-15-9(6)3-8(7)12/h2-3,5H,1,4H2,(H,13,14)/t5-/m0/s1
InChIKeySPRPZNQPOOSGJI-YFKPBYRVSA-N
MW214.17 g/mol
LogP1.92
Rot. Bonds2

About 2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid

2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 99984769) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is 2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID99984769
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Name2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESO=C(O)C[C@H]1COc2cc(F)c(F)cc21
InChIInChI=1S/C10H8F2O3/c11-7-2-6-5(1-10(13)14)4-15-9(6)3-8(7)12/h2-3,5H,1,4H2,(H,13,14)/t5-/m0/s1
InChIKeySPRPZNQPOOSGJI-YFKPBYRVSA-N
XLogP1.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 99984769) is 2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid is O=C(O)C[C@H]1COc2cc(F)c(F)cc21.
What is the InChIKey of 2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is SPRPZNQPOOSGJI-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H8F2O3/c11-7-2-6-5(1-10(13)14)4-15-9(6)3-8(7)12/h2-3,5H,1,4H2,(H,13,14)/t5-/m0/s1.
What are the key properties of 2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 214.17 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 99984769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).