7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride

C10H11ClFNO2 — CID 66523703

IUPAC7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1NCCc2ccc(F)cc21
InChIInChI=1S/C10H10FNO2.ClH/c11-7-2-1-6-3-4-12-9(10(13)14)8(6)5-7;/h1-2,5,9,12H,3-4H2,(H,13,14);1H
InChIKeySWNJICTZPMYGGN-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.52
Rot. Bonds1

About 7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride

7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride (PubChem CID 66523703) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
PubChem CID66523703
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1NCCc2ccc(F)cc21
InChIInChI=1S/C10H10FNO2.ClH/c11-7-2-1-6-3-4-12-9(10(13)14)8(6)5-7;/h1-2,5,9,12H,3-4H2,(H,13,14);1H
InChIKeySWNJICTZPMYGGN-UHFFFAOYSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride?
The IUPAC name of 7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride (CID 66523703) is 7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride?
The canonical SMILES for 7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride is Cl.O=C(O)C1NCCc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride?
The InChIKey is SWNJICTZPMYGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2.ClH/c11-7-2-1-6-3-4-12-9(10(13)14)8(6)5-7;/h1-2,5,9,12H,3-4H2,(H,13,14);1H.
What are the key properties of 7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride?
7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride has a molecular weight of 231.65 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 66523703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).