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

C10H10F3NO — CID 130024513

IUPAC6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESNC1COCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H10F3NO/c11-10(12,13)7-2-1-6-4-15-5-9(14)8(6)3-7/h1-3,9H,4-5,14H2
InChIKeyZZEDJKQJAZWELU-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.24
Rot. Bonds

About 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine

6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 130024513) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine
PubChem CID130024513
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESNC1COCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H10F3NO/c11-10(12,13)7-2-1-6-4-15-5-9(14)8(6)3-7/h1-3,9H,4-5,14H2
InChIKeyZZEDJKQJAZWELU-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine (CID 130024513) is 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine is NC1COCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is ZZEDJKQJAZWELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)7-2-1-6-4-15-5-9(14)8(6)3-7/h1-3,9H,4-5,14H2.
What are the key properties of 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine?
6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 217.19 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 130024513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).