4-fluoro-4-methyl-2,3-dihydrochromen-7-amine

C10H12FNO — CID 84657888

IUPAC4-fluoro-4-methyl-2,3-dihydrochromen-7-amine
SMILESCC1(F)CCOc2cc(N)ccc21
InChIInChI=1S/C10H12FNO/c1-10(11)4-5-13-9-6-7(12)2-3-8(9)10/h2-3,6H,4-5,12H2,1H3
InChIKeyFUZREGHEMHNMNA-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.24
Rot. Bonds

About 4-fluoro-4-methyl-2,3-dihydrochromen-7-amine

4-fluoro-4-methyl-2,3-dihydrochromen-7-amine (PubChem CID 84657888) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-fluoro-4-methyl-2,3-dihydrochromen-7-amine.

Molecular Properties

Compound Name4-fluoro-4-methyl-2,3-dihydrochromen-7-amine
PubChem CID84657888
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name4-fluoro-4-methyl-2,3-dihydrochromen-7-amine
SMILESCC1(F)CCOc2cc(N)ccc21
InChIInChI=1S/C10H12FNO/c1-10(11)4-5-13-9-6-7(12)2-3-8(9)10/h2-3,6H,4-5,12H2,1H3
InChIKeyFUZREGHEMHNMNA-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.24
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 4-fluoro-4-methyl-2,3-dihydrochromen-7-amine?
The IUPAC name of 4-fluoro-4-methyl-2,3-dihydrochromen-7-amine (CID 84657888) is 4-fluoro-4-methyl-2,3-dihydrochromen-7-amine.
What is the SMILES notation for 4-fluoro-4-methyl-2,3-dihydrochromen-7-amine?
The canonical SMILES for 4-fluoro-4-methyl-2,3-dihydrochromen-7-amine is CC1(F)CCOc2cc(N)ccc21.
What is the InChIKey of 4-fluoro-4-methyl-2,3-dihydrochromen-7-amine?
The InChIKey is FUZREGHEMHNMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-10(11)4-5-13-9-6-7(12)2-3-8(9)10/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 4-fluoro-4-methyl-2,3-dihydrochromen-7-amine?
4-fluoro-4-methyl-2,3-dihydrochromen-7-amine has a molecular weight of 181.21 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-2,3-dihydrochromen-7-amine is sourced from PubChem (CID 84657888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).