methyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate

C10H10FNO3 — CID 175766387

IUPACmethyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate
SMILESCOC(=O)Nc1cc(F)c2c(c1)CCO2
InChIInChI=1S/C10H10FNO3/c1-14-10(13)12-7-4-6-2-3-15-9(6)8(11)5-7/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyIGDARROWARYBHC-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.94
Rot. Bonds1

About methyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate

methyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate (PubChem CID 175766387) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is methyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate
PubChem CID175766387
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Namemethyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate
SMILESCOC(=O)Nc1cc(F)c2c(c1)CCO2
InChIInChI=1S/C10H10FNO3/c1-14-10(13)12-7-4-6-2-3-15-9(6)8(11)5-7/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyIGDARROWARYBHC-UHFFFAOYSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-Dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate
CID 70694605
N-(4-phenylmethoxyphenyl)carbamic acid methyl ester
CID 894605
N-(7-tert-butyl-3,3-dimethyl-2,3-dihydrobenzo[b]furan-5-yl)acetamide
CID 10563380
2,3-Dihydro-1-benzofuran-5-amine
CID 3841102
N-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-4-fluoro-2,3-dihydro-1-benzofuran-5-yl]prop-2-enamide
CID 156367733
N-[3-prop-2-enyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]acetamide
CID 70684787
N-(4-prop-2-enoxy-3-prop-2-enylphenyl)acetamide
CID 70695318
[3-Methyl-4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 72129668
Acetanilide, 3-trifluoromethyl, acetoxy-M
CID 91749672
N-(4-ethoxy-3-methylphenyl)acetamide
CID 89165006
Tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylamino)piperidine-1-carboxylate
CID 103618232
1-(2,3-Dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea
CID 30886416

Frequently Asked Questions

What is the IUPAC name of methyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate?
The IUPAC name of methyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate (CID 175766387) is methyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate.
What is the SMILES notation for methyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate?
The canonical SMILES for methyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate is COC(=O)Nc1cc(F)c2c(c1)CCO2.
What is the InChIKey of methyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate?
The InChIKey is IGDARROWARYBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-14-10(13)12-7-4-6-2-3-15-9(6)8(11)5-7/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of methyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate?
methyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate has a molecular weight of 211.19 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)carbamate is sourced from PubChem (CID 175766387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).