(2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

C17H16FNO2 — CID 63933032

IUPAC(2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
SMILESO=C(OCc1ccccc1F)C1Cc2ccccc2CN1
InChIInChI=1S/C17H16FNO2/c18-15-8-4-3-7-14(15)11-21-17(20)16-9-12-5-1-2-6-13(12)10-19-16/h1-8,16,19H,9-11H2
InChIKeyVYPWQLLTMYTGEY-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.58
Rot. Bonds3

About (2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

(2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate (PubChem CID 63933032) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
PubChem CID63933032
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
SMILESO=C(OCc1ccccc1F)C1Cc2ccccc2CN1
InChIInChI=1S/C17H16FNO2/c18-15-8-4-3-7-14(15)11-21-17(20)16-9-12-5-1-2-6-13(12)10-19-16/h1-8,16,19H,9-11H2
InChIKeyVYPWQLLTMYTGEY-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 104895733
2-methylpropyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 13044270
benzyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;2,3-dihydroxybutanedioic acid
CID 70089029
cyclopentylmethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 104895732
chloro 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 174797587
heptyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 104895708
octyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 63540314
2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 106448104
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
2-(2-bromophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549733
(2-fluorophenyl)methyl piperidine-4-carboxylate
CID 63933211
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CID 63933032) is (2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate is O=C(OCc1ccccc1F)C1Cc2ccccc2CN1.
What is the InChIKey of (2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The InChIKey is VYPWQLLTMYTGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-15-8-4-3-7-14(15)11-21-17(20)16-9-12-5-1-2-6-13(12)10-19-16/h1-8,16,19H,9-11H2.
What are the key properties of (2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
(2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate has a molecular weight of 285.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate is sourced from PubChem (CID 63933032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).