(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine

C9H9F2NO — CID 84769578

IUPAC(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNCc1c(F)cc2c(c1F)CCO2
InChIInChI=1S/C9H9F2NO/c10-7-3-8-5(1-2-13-8)9(11)6(7)4-12/h3H,1-2,4,12H2
InChIKeyPGIMLPKLQBOMTB-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.36
Rot. Bonds1

About (4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine

(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 84769578) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is (4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID84769578
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNCc1c(F)cc2c(c1F)CCO2
InChIInChI=1S/C9H9F2NO/c10-7-3-8-5(1-2-13-8)9(11)6(7)4-12/h3H,1-2,4,12H2
InChIKeyPGIMLPKLQBOMTB-UHFFFAOYSA-N
XLogP1.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride
CID 84812515
3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 84791240
2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 84782675
1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine
CID 117322946
2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 82374515
3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117385746
2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 84792628
1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine
CID 84800463
3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
CID 117303834
3-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117329952
4-fluoro-2,3-dihydro-1-benzofuran-5-amine
CID 82373061
(3S,4R)-4-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)-3-methylpyrrolidin-2-one
CID 126653349

Frequently Asked Questions

What is the IUPAC name of (4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of (4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 84769578) is (4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine is NCc1c(F)cc2c(c1F)CCO2.
What is the InChIKey of (4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is PGIMLPKLQBOMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-7-3-8-5(1-2-13-8)9(11)6(7)4-12/h3H,1-2,4,12H2.
What are the key properties of (4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine?
(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 185.17 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 84769578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).