6-[(2,5-difluoro-4-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine

C19H18F3NO — CID 145406362

IUPAC6-[(2,5-difluoro-4-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine
SMILESCc1cc(F)c(OCC2NCCC=C2c2ccc(F)cc2)cc1F
InChIInChI=1S/C19H18F3NO/c1-12-9-17(22)19(10-16(12)21)24-11-18-15(3-2-8-23-18)13-4-6-14(20)7-5-13/h3-7,9-10,18,23H,2,8,11H2,1H3
InChIKeyDVWWMNCHRGTTJG-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.24
Rot. Bonds4

About 6-[(2,5-difluoro-4-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine

6-[(2,5-difluoro-4-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 145406362) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is 6-[(2,5-difluoro-4-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-[(2,5-difluoro-4-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine
PubChem CID145406362
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name6-[(2,5-difluoro-4-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine
SMILESCc1cc(F)c(OCC2NCCC=C2c2ccc(F)cc2)cc1F
InChIInChI=1S/C19H18F3NO/c1-12-9-17(22)19(10-16(12)21)24-11-18-15(3-2-8-23-18)13-4-6-14(20)7-5-13/h3-7,9-10,18,23H,2,8,11H2,1H3
InChIKeyDVWWMNCHRGTTJG-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-difluoro-4-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-[(2,5-difluoro-4-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine (CID 145406362) is 6-[(2,5-difluoro-4-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-[(2,5-difluoro-4-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-[(2,5-difluoro-4-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine is Cc1cc(F)c(OCC2NCCC=C2c2ccc(F)cc2)cc1F.
What is the InChIKey of 6-[(2,5-difluoro-4-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is DVWWMNCHRGTTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO/c1-12-9-17(22)19(10-16(12)21)24-11-18-15(3-2-8-23-18)13-4-6-14(20)7-5-13/h3-7,9-10,18,23H,2,8,11H2,1H3.
What are the key properties of 6-[(2,5-difluoro-4-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine?
6-[(2,5-difluoro-4-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 333.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-difluoro-4-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 145406362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).