7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C10H10ClF4N — CID 170910361

IUPAC7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Fc1ccc2c(c1)C(C(F)(F)F)NCC2
InChIInChI=1S/C10H9F4N.ClH/c11-7-2-1-6-3-4-15-9(8(6)5-7)10(12,13)14;/h1-2,5,9,15H,3-4H2;1H
InChIKeyBEEAGUFWZZYHEJ-UHFFFAOYSA-N
MW255.64 g/mol
LogP3.00
Rot. Bonds

About 7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride

7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 170910361) has the molecular formula C10H10ClF4N and a molecular weight of 255.64 g/mol. Its IUPAC name is 7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID170910361
Molecular FormulaC10H10ClF4N
Molecular Weight255.64 g/mol
Exact Mass255.04
IUPAC Name7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Fc1ccc2c(c1)C(C(F)(F)F)NCC2
InChIInChI=1S/C10H9F4N.ClH/c11-7-2-1-6-3-4-15-9(8(6)5-7)10(12,13)14;/h1-2,5,9,15H,3-4H2;1H
InChIKeyBEEAGUFWZZYHEJ-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 170910361) is 7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cl.Fc1ccc2c(c1)C(C(F)(F)F)NCC2.
What is the InChIKey of 7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is BEEAGUFWZZYHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N.ClH/c11-7-2-1-6-3-4-15-9(8(6)5-7)10(12,13)14;/h1-2,5,9,15H,3-4H2;1H.
What are the key properties of 7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 255.64 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 170910361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).