2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene

C23H34FN — CID 167631369

IUPAC2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)nc1
InChIInChI=1S/C12H17F.C11H17N/c1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-8(2)10-5-6-11(9(3)4)12-7-10/h5-9H,1-4H3;5-9H,1-4H3
InChIKeyNVTQUBXMUROTRI-UHFFFAOYSA-N
MW343.53 g/mol
LogP7.40
Rot. Bonds4

About 2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene

2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene (PubChem CID 167631369) has the molecular formula C23H34FN and a molecular weight of 343.53 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene
PubChem CID167631369
Molecular FormulaC23H34FN
Molecular Weight343.53 g/mol
Exact Mass343.27
IUPAC Name2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)nc1
InChIInChI=1S/C12H17F.C11H17N/c1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-8(2)10-5-6-11(9(3)4)12-7-10/h5-9H,1-4H3;5-9H,1-4H3
InChIKeyNVTQUBXMUROTRI-UHFFFAOYSA-N
XLogP7.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.53
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene
CID 139295380
1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene
CID 157344584
(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol
CID 171600588
1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
CID 131378718
bis(1-fluoro-4-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;methane
CID 158662647
1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol
CID 121261456
1,4-di(propan-2-yl)benzene;bis(2,5-di(propan-2-yl)pyrazine);3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);bis(3,6-di(propan-2-yl)-1,2,4-triazine);methane
CID 158648639
1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);ethane
CID 158024668
2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
CID 58823318
4,5-difluoro-2-propan-2-ylpyridine
CID 170611007
(3-fluoro-4-propan-2-ylphenyl)-trimethylsilane
CID 59596566
3-fluoro-4-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile
CID 166089118

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene?
The IUPAC name of 2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene (CID 167631369) is 2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene.
What is the SMILES notation for 2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene?
The canonical SMILES for 2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene is CC(C)c1ccc(C(C)C)c(F)c1.CC(C)c1ccc(C(C)C)nc1.
What is the InChIKey of 2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene?
The InChIKey is NVTQUBXMUROTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F.C11H17N/c1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-8(2)10-5-6-11(9(3)4)12-7-10/h5-9H,1-4H3;5-9H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene?
2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene has a molecular weight of 343.53 g/mol, XLogP of 7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene is sourced from PubChem (CID 167631369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).