2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine

C13H18FNO — CID 68597302

IUPAC2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine
SMILESCCC1(CC)CC(N)c2cc(F)ccc2O1
InChIInChI=1S/C13H18FNO/c1-3-13(4-2)8-11(15)10-7-9(14)5-6-12(10)16-13/h5-7,11H,3-4,8,15H2,1-2H3
InChIKeyXYDAYGQBVCPLNZ-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.17
Rot. Bonds2

About 2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine

2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine (PubChem CID 68597302) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine
PubChem CID68597302
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine
SMILESCCC1(CC)CC(N)c2cc(F)ccc2O1
InChIInChI=1S/C13H18FNO/c1-3-13(4-2)8-11(15)10-7-9(14)5-6-12(10)16-13/h5-7,11H,3-4,8,15H2,1-2H3
InChIKeyXYDAYGQBVCPLNZ-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine (CID 68597302) is 2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine is CCC1(CC)CC(N)c2cc(F)ccc2O1.
What is the InChIKey of 2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine?
The InChIKey is XYDAYGQBVCPLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-13(4-2)8-11(15)10-7-9(14)5-6-12(10)16-13/h5-7,11H,3-4,8,15H2,1-2H3.
What are the key properties of 2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine?
2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine has a molecular weight of 223.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 68597302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).