2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine

C18H22FN — CID 155036452

IUPAC2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine
SMILESCC(C)(Cc1ccc(F)cc1)C(C)(C)c1ccccn1
InChIInChI=1S/C18H22FN/c1-17(2,13-14-8-10-15(19)11-9-14)18(3,4)16-7-5-6-12-20-16/h5-12H,13H2,1-4H3
InChIKeyPSPQPQFURMFOSR-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.77
Rot. Bonds4

About 2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine

2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine (PubChem CID 155036452) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine
PubChem CID155036452
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine
SMILESCC(C)(Cc1ccc(F)cc1)C(C)(C)c1ccccn1
InChIInChI=1S/C18H22FN/c1-17(2,13-14-8-10-15(19)11-9-14)18(3,4)16-7-5-6-12-20-16/h5-12H,13H2,1-4H3
InChIKeyPSPQPQFURMFOSR-UHFFFAOYSA-N
XLogP4.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile
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2-(2-amino-3-pyridinyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833119
(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylpropan-2-amine
CID 10657092
2-(1,1-difluoropropyl)pyridine
CID 59088790
1-fluoro-4-(2,2,3-trimethylbutyl)benzene
CID 59019242
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine
CID 23584919
2-tert-butylpyridine;ethane;methane
CID 143332153
3-(4-fluorophenyl)-2,2-dimethylpropanal
CID 12814764
2-(4-benzylheptan-4-yl)pyridine
CID 122207930
2-fluoro-5-[2-(4-fluorophenyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]pyridine
CID 91302011

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine?
The IUPAC name of 2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine (CID 155036452) is 2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine is CC(C)(Cc1ccc(F)cc1)C(C)(C)c1ccccn1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine?
The InChIKey is PSPQPQFURMFOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-17(2,13-14-8-10-15(19)11-9-14)18(3,4)16-7-5-6-12-20-16/h5-12H,13H2,1-4H3.
What are the key properties of 2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine?
2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine has a molecular weight of 271.38 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine is sourced from PubChem (CID 155036452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).