(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile

C11H11FN2 — CID 11819842

IUPAC(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile
SMILESN#Cc1ccc2c(c1)CN[C@@H](CF)C2
InChIInChI=1S/C11H11FN2/c12-5-11-4-9-2-1-8(6-13)3-10(9)7-14-11/h1-3,11,14H,4-5,7H2/t11-/m1/s1
InChIKeyUYOIEPOOLGXPIW-LLVKDONJSA-N
MW190.22 g/mol
LogP1.54
Rot. Bonds1

About (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile

(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile (PubChem CID 11819842) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile.

Molecular Properties

Compound Name(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile
PubChem CID11819842
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile
SMILESN#Cc1ccc2c(c1)CN[C@@H](CF)C2
InChIInChI=1S/C11H11FN2/c12-5-11-4-9-2-1-8(6-13)3-10(9)7-14-11/h1-3,11,14H,4-5,7H2/t11-/m1/s1
InChIKeyUYOIEPOOLGXPIW-LLVKDONJSA-N
XLogP1.54
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile?
The IUPAC name of (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile (CID 11819842) is (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile.
What is the SMILES notation for (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile?
The canonical SMILES for (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile is N#Cc1ccc2c(c1)CN[C@@H](CF)C2.
What is the InChIKey of (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile?
The InChIKey is UYOIEPOOLGXPIW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H11FN2/c12-5-11-4-9-2-1-8(6-13)3-10(9)7-14-11/h1-3,11,14H,4-5,7H2/t11-/m1/s1.
What are the key properties of (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile?
(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile has a molecular weight of 190.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile is sourced from PubChem (CID 11819842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).