3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline

C16H15F2N — CID 106780991

IUPAC3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(F)c(C2CNc3ccccc3C2)c1F
InChIInChI=1S/C16H15F2N/c1-10-6-7-13(17)15(16(10)18)12-8-11-4-2-3-5-14(11)19-9-12/h2-7,12,19H,8-9H2,1H3
InChIKeyDIJUIVJOGRCQGP-UHFFFAOYSA-N
MW259.30 g/mol
LogP4.03
Rot. Bonds1

About 3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline

3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106780991) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID106780991
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(F)c(C2CNc3ccccc3C2)c1F
InChIInChI=1S/C16H15F2N/c1-10-6-7-13(17)15(16(10)18)12-8-11-4-2-3-5-14(11)19-9-12/h2-7,12,19H,8-9H2,1H3
InChIKeyDIJUIVJOGRCQGP-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline (CID 106780991) is 3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline is Cc1ccc(F)c(C2CNc3ccccc3C2)c1F.
What is the InChIKey of 3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is DIJUIVJOGRCQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c1-10-6-7-13(17)15(16(10)18)12-8-11-4-2-3-5-14(11)19-9-12/h2-7,12,19H,8-9H2,1H3.
What are the key properties of 3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline?
3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 259.30 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106780991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).