8-fluoro-3,4-dihydro-1H-isochromen-4-amine

C9H10FNO — CID 59705042

IUPAC8-fluoro-3,4-dihydro-1H-isochromen-4-amine
SMILESNC1COCc2c(F)cccc21
InChIInChI=1S/C9H10FNO/c10-8-3-1-2-6-7(8)4-12-5-9(6)11/h1-3,9H,4-5,11H2
InChIKeyXRCYXCKAPZNPRD-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.36
Rot. Bonds

About 8-fluoro-3,4-dihydro-1H-isochromen-4-amine

8-fluoro-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 59705042) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 8-fluoro-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound Name8-fluoro-3,4-dihydro-1H-isochromen-4-amine
PubChem CID59705042
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name8-fluoro-3,4-dihydro-1H-isochromen-4-amine
SMILESNC1COCc2c(F)cccc21
InChIInChI=1S/C9H10FNO/c10-8-3-1-2-6-7(8)4-12-5-9(6)11/h1-3,9H,4-5,11H2
InChIKeyXRCYXCKAPZNPRD-UHFFFAOYSA-N
XLogP1.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-3,4-dihydro-1H-isochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of 8-fluoro-3,4-dihydro-1H-isochromen-4-amine (CID 59705042) is 8-fluoro-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for 8-fluoro-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for 8-fluoro-3,4-dihydro-1H-isochromen-4-amine is NC1COCc2c(F)cccc21.
What is the InChIKey of 8-fluoro-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is XRCYXCKAPZNPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-8-3-1-2-6-7(8)4-12-5-9(6)11/h1-3,9H,4-5,11H2.
What are the key properties of 8-fluoro-3,4-dihydro-1H-isochromen-4-amine?
8-fluoro-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 167.18 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 59705042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).