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

C17H15F4NO2 — CID 59701580

IUPAC[(2R)-6-fluoro-8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESNC[C@H]1CCc2cc(F)cc(-c3ccccc3OC(F)(F)F)c2O1
InChIInChI=1S/C17H15F4NO2/c18-11-7-10-5-6-12(9-22)23-16(10)14(8-11)13-3-1-2-4-15(13)24-17(19,20)21/h1-4,7-8,12H,5-6,9,22H2/t12-/m1/s1
InChIKeyFZNBEDOOVRSKMV-GFCCVEGCSA-N
MW341.30 g/mol
LogP4.04
Rot. Bonds3

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

[(2R)-6-fluoro-8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine (PubChem CID 59701580) has the molecular formula C17H15F4NO2 and a molecular weight of 341.30 g/mol. Its IUPAC name is [(2R)-6-fluoro-8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-6-fluoro-8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine
PubChem CID59701580
Molecular FormulaC17H15F4NO2
Molecular Weight341.30 g/mol
Exact Mass341.10
IUPAC Name[(2R)-6-fluoro-8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESNC[C@H]1CCc2cc(F)cc(-c3ccccc3OC(F)(F)F)c2O1
InChIInChI=1S/C17H15F4NO2/c18-11-7-10-5-6-12(9-22)23-16(10)14(8-11)13-3-1-2-4-15(13)24-17(19,20)21/h1-4,7-8,12H,5-6,9,22H2/t12-/m1/s1
InChIKeyFZNBEDOOVRSKMV-GFCCVEGCSA-N
XLogP4.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

((3S,4S)-4-(2-ethyl-6-fluorophenoxy)-3,4-dihydro-1H-isochromen-3-yl)-N-methylmethanamine
CID 11949672
((3S,4S)-4-(3-fluoro-2-methylphenoxy)-3,4-dihydro-1H-isochromen-3-yl)-N-methylmethanamine
CID 24969452
((3S,4S)-4-(2-fluoro-6-(trifluoromethyl)phenoxy)-3,4-dihydro-1H-isochromen-3-yl)-N-methylmethanamine
CID 25071019
((3R,4R)-4-(o-tolyloxy)-3,4-dihydro-1H-isochromen-3-yl)methanamine
CID 44587446
N-methyl((3R,4R)-4-(2-(trifluoromethyl)phenoxy)-3,4-dihydro-1H-isochromen-3-yl)methanamine
CID 44587449
N-methyl((3S,4S)-4-(2-(trifluoromethyl)phenoxy)-3,4-dihydro-1H-isochromen-3-yl)methanamine
CID 44593690
((3S,4S)-4-(o-tolyloxy)isochroman-3-yl)methanamine
CID 44593691
((3S,4S)-4-(2-fluoro-6-methylphenoxy)-3,4-dihydro-1H-isochromen-3-yl)-N-methylmethanamine
CID 44593696
(2S,3R)-8-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 130385251
(2R,3S)-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 132055397
((3S,4S)-4-(4-fluoro-2-methylphenoxy)-3,4-dihydro-1H-isochromen-3-yl)-N-methylmethanamine
CID 44587476
((3S,4S)-4-(5-fluoro-2-methylphenoxy)-3,4-dihydro-1H-isochromen-3-yl)-N-methylmethanamine
CID 44587477

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-fluoro-8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine?
The IUPAC name of [(2R)-6-fluoro-8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine (CID 59701580) is [(2R)-6-fluoro-8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine.
What is the SMILES notation for [(2R)-6-fluoro-8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine?
The canonical SMILES for [(2R)-6-fluoro-8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine is NC[C@H]1CCc2cc(F)cc(-c3ccccc3OC(F)(F)F)c2O1.
What is the InChIKey of [(2R)-6-fluoro-8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine?
The InChIKey is FZNBEDOOVRSKMV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15F4NO2/c18-11-7-10-5-6-12(9-22)23-16(10)14(8-11)13-3-1-2-4-15(13)24-17(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-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine?
[(2R)-6-fluoro-8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine has a molecular weight of 341.30 g/mol, XLogP of 4.04, 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-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine is sourced from PubChem (CID 59701580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).