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

C17H15F4NO — CID 15940770

IUPAC[(2R)-6-fluoro-8-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESNC[C@H]1CCc2cc(F)cc(-c3ccccc3C(F)(F)F)c2O1
InChIInChI=1S/C17H15F4NO/c18-11-7-10-5-6-12(9-22)23-16(10)14(8-11)13-3-1-2-4-15(13)17(19,20)21/h1-4,7-8,12H,5-6,9,22H2/t12-/m1/s1
InChIKeyRCKTVIBZGNNBJL-GFCCVEGCSA-N
MW325.31 g/mol
LogP4.16
Rot. Bonds2

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

[(2R)-6-fluoro-8-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine (PubChem CID 15940770) has the molecular formula C17H15F4NO and a molecular weight of 325.31 g/mol. Its IUPAC name is [(2R)-6-fluoro-8-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-6-fluoro-8-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine
PubChem CID15940770
Molecular FormulaC17H15F4NO
Molecular Weight325.31 g/mol
Exact Mass325.11
IUPAC Name[(2R)-6-fluoro-8-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESNC[C@H]1CCc2cc(F)cc(-c3ccccc3C(F)(F)F)c2O1
InChIInChI=1S/C17H15F4NO/c18-11-7-10-5-6-12(9-22)23-16(10)14(8-11)13-3-1-2-4-15(13)17(19,20)21/h1-4,7-8,12H,5-6,9,22H2/t12-/m1/s1
InChIKeyRCKTVIBZGNNBJL-GFCCVEGCSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-6-fluoro-8-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine?
The IUPAC name of [(2R)-6-fluoro-8-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine (CID 15940770) is [(2R)-6-fluoro-8-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine.
What is the SMILES notation for [(2R)-6-fluoro-8-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine?
The canonical SMILES for [(2R)-6-fluoro-8-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine is NC[C@H]1CCc2cc(F)cc(-c3ccccc3C(F)(F)F)c2O1.
What is the InChIKey of [(2R)-6-fluoro-8-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine?
The InChIKey is RCKTVIBZGNNBJL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15F4NO/c18-11-7-10-5-6-12(9-22)23-16(10)14(8-11)13-3-1-2-4-15(13)17(19,20)21/h1-4,7-8,12H,5-6,9,22H2/t12-/m1/s1.
What are the key properties of [(2R)-6-fluoro-8-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine?
[(2R)-6-fluoro-8-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine has a molecular weight of 325.31 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-fluoro-8-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine is sourced from PubChem (CID 15940770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).