[(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine

C17H14F5NO2 — CID 58755016

IUPAC[(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESNC[C@H]1CCc2cc(F)cc(-c3ccc(F)cc3OC(F)(F)F)c2O1
InChIInChI=1S/C17H14F5NO2/c18-10-2-4-13(15(7-10)25-17(20,21)22)14-6-11(19)5-9-1-3-12(8-23)24-16(9)14/h2,4-7,12H,1,3,8,23H2/t12-/m1/s1
InChIKeyXHFLNQDEQMACRH-GFCCVEGCSA-N
MW359.29 g/mol
LogP4.18
Rot. Bonds3

About [(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine

[(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine (PubChem CID 58755016) has the molecular formula C17H14F5NO2 and a molecular weight of 359.29 g/mol. Its IUPAC name is [(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine
PubChem CID58755016
Molecular FormulaC17H14F5NO2
Molecular Weight359.29 g/mol
Exact Mass359.09
IUPAC Name[(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESNC[C@H]1CCc2cc(F)cc(-c3ccc(F)cc3OC(F)(F)F)c2O1
InChIInChI=1S/C17H14F5NO2/c18-10-2-4-13(15(7-10)25-17(20,21)22)14-6-11(19)5-9-1-3-12(8-23)24-16(9)14/h2,4-7,12H,1,3,8,23H2/t12-/m1/s1
InChIKeyXHFLNQDEQMACRH-GFCCVEGCSA-N
XLogP4.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine?
The IUPAC name of [(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine (CID 58755016) is [(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine.
What is the SMILES notation for [(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine?
The canonical SMILES for [(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine is NC[C@H]1CCc2cc(F)cc(-c3ccc(F)cc3OC(F)(F)F)c2O1.
What is the InChIKey of [(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine?
The InChIKey is XHFLNQDEQMACRH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H14F5NO2/c18-10-2-4-13(15(7-10)25-17(20,21)22)14-6-11(19)5-9-1-3-12(8-23)24-16(9)14/h2,4-7,12H,1,3,8,23H2/t12-/m1/s1.
What are the key properties of [(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine?
[(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine has a molecular weight of 359.29 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine is sourced from PubChem (CID 58755016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).