[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid

C16H14FNO3 — CID 69108536

IUPAC[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1Cc2cccc(-c3ccccc3F)c2O1
InChIInChI=1S/C16H14FNO3/c1-18(16(19)20)14-9-10-5-4-7-12(15(10)21-14)11-6-2-3-8-13(11)17/h2-8,14H,9H2,1H3,(H,19,20)
InChIKeyURKZQIWFHRTLFD-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.36
Rot. Bonds2

About [7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid

[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid (PubChem CID 69108536) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is [7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid
PubChem CID69108536
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1Cc2cccc(-c3ccccc3F)c2O1
InChIInChI=1S/C16H14FNO3/c1-18(16(19)20)14-9-10-5-4-7-12(15(10)21-14)11-6-2-3-8-13(11)17/h2-8,14H,9H2,1H3,(H,19,20)
InChIKeyURKZQIWFHRTLFD-UHFFFAOYSA-N
XLogP3.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid
CID 68964344
7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108323
7-(2,4-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108495
2-[[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-methylbenzenesulfonic acid
CID 141158878
2-[2-(dimethylamino)ethyl-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]acetic acid
CID 124685352
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-fluorobenzoic acid
CID 79517954
methyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate
CID 91356613
benzyl-[[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamic acid
CID 68964247
8-fluoro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 22638962
tert-butyl 7-fluoro-2,3-dihydro-1-benzofuran-2-carboxylate
CID 135394558
1-fluoro-5H-benzo[d][1,3]benzodioxocine-11-carboxylic acid
CID 15679054
8-(2-fluorophenyl)-3,4-dihydro-2H-chromene;methanamine
CID 143567573

Frequently Asked Questions

What is the IUPAC name of [7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid?
The IUPAC name of [7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid (CID 69108536) is [7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid.
What is the SMILES notation for [7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid?
The canonical SMILES for [7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid is CN(C(=O)O)C1Cc2cccc(-c3ccccc3F)c2O1.
What is the InChIKey of [7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid?
The InChIKey is URKZQIWFHRTLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-18(16(19)20)14-9-10-5-4-7-12(15(10)21-14)11-6-2-3-8-13(11)17/h2-8,14H,9H2,1H3,(H,19,20).
What are the key properties of [7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid?
[7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid has a molecular weight of 287.29 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-methylcarbamic acid is sourced from PubChem (CID 69108536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).