6-fluoro-3,4-dihydro-2H-chromen-8-amine

C9H10FNO — CID 18414069

IUPAC6-fluoro-3,4-dihydro-2H-chromen-8-amine
SMILESNc1cc(F)cc2c1OCCC2
InChIInChI=1S/C9H10FNO/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h4-5H,1-3,11H2
InChIKeyAEICTTXLAITIQJ-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.73
Rot. Bonds

About 6-fluoro-3,4-dihydro-2H-chromen-8-amine

6-fluoro-3,4-dihydro-2H-chromen-8-amine (PubChem CID 18414069) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 6-fluoro-3,4-dihydro-2H-chromen-8-amine.

Molecular Properties

Compound Name6-fluoro-3,4-dihydro-2H-chromen-8-amine
PubChem CID18414069
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name6-fluoro-3,4-dihydro-2H-chromen-8-amine
SMILESNc1cc(F)cc2c1OCCC2
InChIInChI=1S/C9H10FNO/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h4-5H,1-3,11H2
InChIKeyAEICTTXLAITIQJ-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,4-dihydro-2H-chromen-8-amine?
The IUPAC name of 6-fluoro-3,4-dihydro-2H-chromen-8-amine (CID 18414069) is 6-fluoro-3,4-dihydro-2H-chromen-8-amine.
What is the SMILES notation for 6-fluoro-3,4-dihydro-2H-chromen-8-amine?
The canonical SMILES for 6-fluoro-3,4-dihydro-2H-chromen-8-amine is Nc1cc(F)cc2c1OCCC2.
What is the InChIKey of 6-fluoro-3,4-dihydro-2H-chromen-8-amine?
The InChIKey is AEICTTXLAITIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h4-5H,1-3,11H2.
What are the key properties of 6-fluoro-3,4-dihydro-2H-chromen-8-amine?
6-fluoro-3,4-dihydro-2H-chromen-8-amine has a molecular weight of 167.18 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4-dihydro-2H-chromen-8-amine is sourced from PubChem (CID 18414069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).