2,2-difluoro-3,4-dihydrochromen-6-amine

C9H9F2NO — CID 105441454

IUPAC2,2-difluoro-3,4-dihydrochromen-6-amine
SMILESNc1ccc2c(c1)CCC(F)(F)O2
InChIInChI=1S/C9H9F2NO/c10-9(11)4-3-6-5-7(12)1-2-8(6)13-9/h1-2,5H,3-4,12H2
InChIKeyLGLBTTOYZAFYDX-UHFFFAOYSA-N
MW185.17 g/mol
LogP2.19
Rot. Bonds

About 2,2-difluoro-3,4-dihydrochromen-6-amine

2,2-difluoro-3,4-dihydrochromen-6-amine (PubChem CID 105441454) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 2,2-difluoro-3,4-dihydrochromen-6-amine.

Molecular Properties

Compound Name2,2-difluoro-3,4-dihydrochromen-6-amine
PubChem CID105441454
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name2,2-difluoro-3,4-dihydrochromen-6-amine
SMILESNc1ccc2c(c1)CCC(F)(F)O2
InChIInChI=1S/C9H9F2NO/c10-9(11)4-3-6-5-7(12)1-2-8(6)13-9/h1-2,5H,3-4,12H2
InChIKeyLGLBTTOYZAFYDX-UHFFFAOYSA-N
XLogP2.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.19
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 2,2-difluoro-3,4-dihydrochromen-6-amine?
The IUPAC name of 2,2-difluoro-3,4-dihydrochromen-6-amine (CID 105441454) is 2,2-difluoro-3,4-dihydrochromen-6-amine.
What is the SMILES notation for 2,2-difluoro-3,4-dihydrochromen-6-amine?
The canonical SMILES for 2,2-difluoro-3,4-dihydrochromen-6-amine is Nc1ccc2c(c1)CCC(F)(F)O2.
What is the InChIKey of 2,2-difluoro-3,4-dihydrochromen-6-amine?
The InChIKey is LGLBTTOYZAFYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-9(11)4-3-6-5-7(12)1-2-8(6)13-9/h1-2,5H,3-4,12H2.
What are the key properties of 2,2-difluoro-3,4-dihydrochromen-6-amine?
2,2-difluoro-3,4-dihydrochromen-6-amine has a molecular weight of 185.17 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,4-dihydrochromen-6-amine is sourced from PubChem (CID 105441454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).