8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine

C11H14FNO — CID 82606226

IUPAC8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine
SMILESCNC1(C)CCOc2c(F)cccc21
InChIInChI=1S/C11H14FNO/c1-11(13-2)6-7-14-10-8(11)4-3-5-9(10)12/h3-5,13H,6-7H2,1-2H3
InChIKeyKCALOIAQCFMWGR-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.04
Rot. Bonds1

About 8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine

8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine (PubChem CID 82606226) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine.

Molecular Properties

Compound Name8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine
PubChem CID82606226
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine
SMILESCNC1(C)CCOc2c(F)cccc21
InChIInChI=1S/C11H14FNO/c1-11(13-2)6-7-14-10-8(11)4-3-5-9(10)12/h3-5,13H,6-7H2,1-2H3
InChIKeyKCALOIAQCFMWGR-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine?
The IUPAC name of 8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine (CID 82606226) is 8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine.
What is the SMILES notation for 8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine?
The canonical SMILES for 8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine is CNC1(C)CCOc2c(F)cccc21.
What is the InChIKey of 8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine?
The InChIKey is KCALOIAQCFMWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-11(13-2)6-7-14-10-8(11)4-3-5-9(10)12/h3-5,13H,6-7H2,1-2H3.
What are the key properties of 8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine?
8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine has a molecular weight of 195.24 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine is sourced from PubChem (CID 82606226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).