8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine

C9H11FN2O — CID 55294993

IUPAC8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
SMILESNc1ccc2c(c1F)OCCC2N
InChIInChI=1S/C9H11FN2O/c10-8-7(12)2-1-5-6(11)3-4-13-9(5)8/h1-2,6H,3-4,11-12H2
InChIKeyZBEVSHRDBPOGKL-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.19
Rot. Bonds

About 8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine

8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine (PubChem CID 55294993) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine.

Molecular Properties

Compound Name8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
PubChem CID55294993
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
SMILESNc1ccc2c(c1F)OCCC2N
InChIInChI=1S/C9H11FN2O/c10-8-7(12)2-1-5-6(11)3-4-13-9(5)8/h1-2,6H,3-4,11-12H2
InChIKeyZBEVSHRDBPOGKL-UHFFFAOYSA-N
XLogP1.19
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine?
The IUPAC name of 8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine (CID 55294993) is 8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine.
What is the SMILES notation for 8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine?
The canonical SMILES for 8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine is Nc1ccc2c(c1F)OCCC2N.
What is the InChIKey of 8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine?
The InChIKey is ZBEVSHRDBPOGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-8-7(12)2-1-5-6(11)3-4-13-9(5)8/h1-2,6H,3-4,11-12H2.
What are the key properties of 8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine?
8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine has a molecular weight of 182.20 g/mol, XLogP of 1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine is sourced from PubChem (CID 55294993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).