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

C10H11ClF3NO — CID 134205855

IUPAC6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
SMILESCl.NC1COCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H10F3NO.ClH/c11-10(12,13)7-2-1-6-4-15-5-9(14)8(6)3-7;/h1-3,9H,4-5,14H2;1H
InChIKeyILDJPDYYHAYBNX-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.66
Rot. Bonds

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

6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine;hydrochloride (PubChem CID 134205855) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine;hydrochloride.

Molecular Properties

Compound Name6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
PubChem CID134205855
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
SMILESCl.NC1COCc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H10F3NO.ClH/c11-10(12,13)7-2-1-6-4-15-5-9(14)8(6)3-7;/h1-3,9H,4-5,14H2;1H
InChIKeyILDJPDYYHAYBNX-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.66
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;hydrochloride?
The IUPAC name of 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine;hydrochloride (CID 134205855) is 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine;hydrochloride.
What is the SMILES notation for 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine;hydrochloride?
The canonical SMILES for 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine;hydrochloride is Cl.NC1COCc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine;hydrochloride?
The InChIKey is ILDJPDYYHAYBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO.ClH/c11-10(12,13)7-2-1-6-4-15-5-9(14)8(6)3-7;/h1-3,9H,4-5,14H2;1H.
What are the key properties of 6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine;hydrochloride?
6-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-amine;hydrochloride has a molecular weight of 253.65 g/mol, XLogP of 2.66, 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;hydrochloride is sourced from PubChem (CID 134205855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).