4,6-difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine

C12H18F2N2 — CID 167226632

IUPAC4,6-difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine
SMILESCC(C)N1CCC(F)C2=C1N(C)CC(F)=C2
InChIInChI=1S/C12H18F2N2/c1-8(2)16-5-4-11(14)10-6-9(13)7-15(3)12(10)16/h6,8,11H,4-5,7H2,1-3H3
InChIKeyKZLYTVIJTWHMFG-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.45
Rot. Bonds1

About 4,6-difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine

4,6-difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine (PubChem CID 167226632) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4,6-difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name4,6-difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine
PubChem CID167226632
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name4,6-difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine
SMILESCC(C)N1CCC(F)C2=C1N(C)CC(F)=C2
InChIInChI=1S/C12H18F2N2/c1-8(2)16-5-4-11(14)10-6-9(13)7-15(3)12(10)16/h6,8,11H,4-5,7H2,1-3H3
InChIKeyKZLYTVIJTWHMFG-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine?
The IUPAC name of 4,6-difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine (CID 167226632) is 4,6-difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 4,6-difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 4,6-difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine is CC(C)N1CCC(F)C2=C1N(C)CC(F)=C2.
What is the InChIKey of 4,6-difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine?
The InChIKey is KZLYTVIJTWHMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-8(2)16-5-4-11(14)10-6-9(13)7-15(3)12(10)16/h6,8,11H,4-5,7H2,1-3H3.
What are the key properties of 4,6-difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine?
4,6-difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine has a molecular weight of 228.29 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-8-methyl-1-propan-2-yl-2,3,4,7-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 167226632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).