2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine

C11H15ClFN — CID 63203074

IUPAC2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine
SMILESCC(C)(C)C(Cl)Cc1ccc(F)cn1
InChIInChI=1S/C11H15ClFN/c1-11(2,3)10(12)6-9-5-4-8(13)7-14-9/h4-5,7,10H,6H2,1-3H3
InChIKeyUOVPKGHNJWVZLW-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.42
Rot. Bonds2

About 2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine

2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine (PubChem CID 63203074) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine.

Molecular Properties

Compound Name2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine
PubChem CID63203074
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine
SMILESCC(C)(C)C(Cl)Cc1ccc(F)cn1
InChIInChI=1S/C11H15ClFN/c1-11(2,3)10(12)6-9-5-4-8(13)7-14-9/h4-5,7,10H,6H2,1-3H3
InChIKeyUOVPKGHNJWVZLW-UHFFFAOYSA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine?
The IUPAC name of 2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine (CID 63203074) is 2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine.
What is the SMILES notation for 2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine?
The canonical SMILES for 2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine is CC(C)(C)C(Cl)Cc1ccc(F)cn1.
What is the InChIKey of 2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine?
The InChIKey is UOVPKGHNJWVZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-11(2,3)10(12)6-9-5-4-8(13)7-14-9/h4-5,7,10H,6H2,1-3H3.
What are the key properties of 2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine?
2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine has a molecular weight of 215.70 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,3-dimethylbutyl)-5-fluoropyridine is sourced from PubChem (CID 63203074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).