6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile

C11H11FN2 — CID 13156214

IUPAC6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile
SMILESCC1CCc2c(ccc(F)c2C#N)N1
InChIInChI=1S/C11H11FN2/c1-7-2-3-8-9(6-13)10(12)4-5-11(8)14-7/h4-5,7,14H,2-3H2,1H3
InChIKeyCMDLMOYSMDPMQF-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.44
Rot. Bonds

About 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile

6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile (PubChem CID 13156214) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile.

Molecular Properties

Compound Name6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile
PubChem CID13156214
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile
SMILESCC1CCc2c(ccc(F)c2C#N)N1
InChIInChI=1S/C11H11FN2/c1-7-2-3-8-9(6-13)10(12)4-5-11(8)14-7/h4-5,7,14H,2-3H2,1H3
InChIKeyCMDLMOYSMDPMQF-UHFFFAOYSA-N
XLogP2.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile?
The IUPAC name of 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile (CID 13156214) is 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile.
What is the SMILES notation for 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile?
The canonical SMILES for 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile is CC1CCc2c(ccc(F)c2C#N)N1.
What is the InChIKey of 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile?
The InChIKey is CMDLMOYSMDPMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-7-2-3-8-9(6-13)10(12)4-5-11(8)14-7/h4-5,7,14H,2-3H2,1H3.
What are the key properties of 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile?
6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile has a molecular weight of 190.22 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile is sourced from PubChem (CID 13156214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).