1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine

C10H10F3NO — CID 153409603

IUPAC1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESNC1COC(C(F)(F)F)c2ccccc21
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9-7-4-2-1-3-6(7)8(14)5-15-9/h1-4,8-9H,5,14H2
InChIKeySPJCSOLJTAMACC-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.32
Rot. Bonds

About 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine

1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 153409603) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound Name1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine
PubChem CID153409603
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESNC1COC(C(F)(F)F)c2ccccc21
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9-7-4-2-1-3-6(7)8(14)5-15-9/h1-4,8-9H,5,14H2
InChIKeySPJCSOLJTAMACC-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
CID 153409594
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
3-(trifluoromethyl)-3H-2-benzofuran-1-one
CID 12546977
2,3-dihydrobenzo[f][1]benzofuran-3-amine
CID 55272031
(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914
(1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol
CID 12013036
(2R)-2-[2-(trifluoromethoxy)phenyl]oxirane
CID 83128862
(4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine
CID 59799575
(1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol
CID 132933199
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
7-phenyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511966

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine (CID 153409603) is 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine is NC1COC(C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is SPJCSOLJTAMACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)9-7-4-2-1-3-6(7)8(14)5-15-9/h1-4,8-9H,5,14H2.
What are the key properties of 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine?
1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 217.19 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 153409603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).