(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine

C9H10FNO — CID 55263545

IUPAC(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
SMILESNCC1COc2ccc(F)cc21
InChIInChI=1S/C9H10FNO/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,6H,4-5,11H2
InChIKeyIXGYBNQLRLRBQN-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.26
Rot. Bonds1

About (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine

(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine (PubChem CID 55263545) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
PubChem CID55263545
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
SMILESNCC1COc2ccc(F)cc21
InChIInChI=1S/C9H10FNO/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,6H,4-5,11H2
InChIKeyIXGYBNQLRLRBQN-UHFFFAOYSA-N
XLogP1.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine?
The IUPAC name of (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine (CID 55263545) is (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine.
What is the SMILES notation for (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine?
The canonical SMILES for (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine is NCC1COc2ccc(F)cc21.
What is the InChIKey of (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine?
The InChIKey is IXGYBNQLRLRBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,6H,4-5,11H2.
What are the key properties of (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine?
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine has a molecular weight of 167.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 55263545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).