5-tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine

C11H16FN — CID 159514576

IUPAC5-tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine
SMILESC=C1C(F)=CC(C(C)(C)C)=CN1C
InChIInChI=1S/C11H16FN/c1-8-10(12)6-9(7-13(8)5)11(2,3)4/h6-7H,1H2,2-5H3
InChIKeyVJFVQRPDKXVBLR-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.23
Rot. Bonds

About 5-tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine

5-tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine (PubChem CID 159514576) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 5-tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine.

Molecular Properties

Compound Name5-tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine
PubChem CID159514576
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name5-tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine
SMILESC=C1C(F)=CC(C(C)(C)C)=CN1C
InChIInChI=1S/C11H16FN/c1-8-10(12)6-9(7-13(8)5)11(2,3)4/h6-7H,1H2,2-5H3
InChIKeyVJFVQRPDKXVBLR-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Tert-butyl-8-methyl-10,10a-dihydropyrido[1,2-a]azepine
CID 10878547
1,4-Di-t-butylpyridine
CID 66942442
5-tert-butyl-3-fluoro-2-methylidene-1H-pyridine
CID 89639548
5-tert-butyl-6-fluoro-1-methyl-2H-pyridine
CID 91405121
1-(Difluoromethyl)-2-methylidene-5-propan-2-ylpyridine
CID 117878111
5-Tert-butyl-1-(difluoromethyl)-2-methylidenepyridine
CID 117878183
4-fluoro-N-methyl-N-(3-methylidenepenta-1,4-dienyl)cyclohexa-1,3-dien-1-amine
CID 123679769
5-fluoro-N,4,4-trimethyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
CID 126590863
5-Tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine
CID 134559782
(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine
CID 138564061
(1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine
CID 142309007
(3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine
CID 143750155

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine?
The IUPAC name of 5-tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine (CID 159514576) is 5-tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine.
What is the SMILES notation for 5-tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine?
The canonical SMILES for 5-tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine is C=C1C(F)=CC(C(C)(C)C)=CN1C.
What is the InChIKey of 5-tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine?
The InChIKey is VJFVQRPDKXVBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8-10(12)6-9(7-13(8)5)11(2,3)4/h6-7H,1H2,2-5H3.
What are the key properties of 5-tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine?
5-tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine has a molecular weight of 181.25 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-fluoro-1-methyl-2-methylidenepyridine is sourced from PubChem (CID 159514576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).