2-tert-butyl-6-[1-(fluoromethyl)cyclopropyl]pyridine

C13H18FN — CID 155202868

IUPAC2-tert-butyl-6-[1-(fluoromethyl)cyclopropyl]pyridine
SMILESCC(C)(C)c1cccc(C2(CF)CC2)n1
InChIInChI=1S/C13H18FN/c1-12(2,3)10-5-4-6-11(15-10)13(9-14)7-8-13/h4-6H,7-9H2,1-3H3
InChIKeyKWGVHVOPGNNMPP-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.38
Rot. Bonds2

About 2-tert-butyl-6-[1-(fluoromethyl)cyclopropyl]pyridine

2-tert-butyl-6-[1-(fluoromethyl)cyclopropyl]pyridine (PubChem CID 155202868) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-tert-butyl-6-[1-(fluoromethyl)cyclopropyl]pyridine.

Molecular Properties

Compound Name2-tert-butyl-6-[1-(fluoromethyl)cyclopropyl]pyridine
PubChem CID155202868
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name2-tert-butyl-6-[1-(fluoromethyl)cyclopropyl]pyridine
SMILESCC(C)(C)c1cccc(C2(CF)CC2)n1
InChIInChI=1S/C13H18FN/c1-12(2,3)10-5-4-6-11(15-10)13(9-14)7-8-13/h4-6H,7-9H2,1-3H3
InChIKeyKWGVHVOPGNNMPP-UHFFFAOYSA-N
XLogP3.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-4-[1-(fluoromethyl)cyclopropyl]-1,3-thiazole
CID 155202612
[1-(4-tert-butylpyrimidin-2-yl)cyclopropyl]methanol
CID 116902465
2-tert-butyl-6-(2-iodopropan-2-yl)pyridine
CID 137391001
2-methyl-N-[[1-(6-pyrrol-1-yl-2-pyridinyl)cyclopropyl]methyl]propan-2-amine
CID 171818403
ethyl 1-[6-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylate
CID 165342758
1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene
CID 84716994
2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine
CID 20709426
2-(6-tert-butyl-2-pyridinyl)pyrimidine
CID 166590913
3-[6-(trifluoromethyl)-2-pyridinyl]bicyclo[1.1.1]pentan-1-amine
CID 142474662
4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine
CID 63079657
N-[[1-(dimethylamino)cyclopentyl]methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 78953595
(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane
CID 175699562

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[1-(fluoromethyl)cyclopropyl]pyridine?
The IUPAC name of 2-tert-butyl-6-[1-(fluoromethyl)cyclopropyl]pyridine (CID 155202868) is 2-tert-butyl-6-[1-(fluoromethyl)cyclopropyl]pyridine.
What is the SMILES notation for 2-tert-butyl-6-[1-(fluoromethyl)cyclopropyl]pyridine?
The canonical SMILES for 2-tert-butyl-6-[1-(fluoromethyl)cyclopropyl]pyridine is CC(C)(C)c1cccc(C2(CF)CC2)n1.
What is the InChIKey of 2-tert-butyl-6-[1-(fluoromethyl)cyclopropyl]pyridine?
The InChIKey is KWGVHVOPGNNMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-12(2,3)10-5-4-6-11(15-10)13(9-14)7-8-13/h4-6H,7-9H2,1-3H3.
What are the key properties of 2-tert-butyl-6-[1-(fluoromethyl)cyclopropyl]pyridine?
2-tert-butyl-6-[1-(fluoromethyl)cyclopropyl]pyridine has a molecular weight of 207.29 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[1-(fluoromethyl)cyclopropyl]pyridine is sourced from PubChem (CID 155202868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).