(6-fluoro-1-benzofuran-3-yl)methyl formate

C10H7FO3 — CID 91089141

IUPAC(6-fluoro-1-benzofuran-3-yl)methyl formate
SMILESO=COCc1coc2cc(F)ccc12
InChIInChI=1S/C10H7FO3/c11-8-1-2-9-7(4-13-6-12)5-14-10(9)3-8/h1-3,5-6H,4H2
InChIKeyZCPYPPGHNUOAIE-UHFFFAOYSA-N
MW194.16 g/mol
LogP2.24
Rot. Bonds3

About (6-fluoro-1-benzofuran-3-yl)methyl formate

(6-fluoro-1-benzofuran-3-yl)methyl formate (PubChem CID 91089141) has the molecular formula C10H7FO3 and a molecular weight of 194.16 g/mol. Its IUPAC name is (6-fluoro-1-benzofuran-3-yl)methyl formate.

Molecular Properties

Compound Name(6-fluoro-1-benzofuran-3-yl)methyl formate
PubChem CID91089141
Molecular FormulaC10H7FO3
Molecular Weight194.16 g/mol
Exact Mass194.04
IUPAC Name(6-fluoro-1-benzofuran-3-yl)methyl formate
SMILESO=COCc1coc2cc(F)ccc12
InChIInChI=1S/C10H7FO3/c11-8-1-2-9-7(4-13-6-12)5-14-10(9)3-8/h1-3,5-6H,4H2
InChIKeyZCPYPPGHNUOAIE-UHFFFAOYSA-N
XLogP2.24
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(6-iodo-1-benzofuran-3-yl)methyl formate
CID 91519885
6-fluoro-3-(methoxymethyl)-1-benzofuran
CID 117177694
6-fluoro-1-benzofuran-3-carbaldehyde
CID 82414998
1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine
CID 117177542
(4-fluoro-1-benzofuran-3-yl)methyl formate
CID 91150142
(5,6,7-trichloro-1-benzofuran-3-yl)methyl formate
CID 87852242
4-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
CID 71261709
6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran
CID 117177608
[2-(4-fluoroanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415410
(3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
CID 176570011
5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174312
N'-[2-(4-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18158747

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1-benzofuran-3-yl)methyl formate?
The IUPAC name of (6-fluoro-1-benzofuran-3-yl)methyl formate (CID 91089141) is (6-fluoro-1-benzofuran-3-yl)methyl formate.
What is the SMILES notation for (6-fluoro-1-benzofuran-3-yl)methyl formate?
The canonical SMILES for (6-fluoro-1-benzofuran-3-yl)methyl formate is O=COCc1coc2cc(F)ccc12.
What is the InChIKey of (6-fluoro-1-benzofuran-3-yl)methyl formate?
The InChIKey is ZCPYPPGHNUOAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO3/c11-8-1-2-9-7(4-13-6-12)5-14-10(9)3-8/h1-3,5-6H,4H2.
What are the key properties of (6-fluoro-1-benzofuran-3-yl)methyl formate?
(6-fluoro-1-benzofuran-3-yl)methyl formate has a molecular weight of 194.16 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1-benzofuran-3-yl)methyl formate is sourced from PubChem (CID 91089141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).