1,3-ditert-butyl-5-fluoro-2-methylidenepyridine

C14H22FN — CID 170184385

IUPAC1,3-ditert-butyl-5-fluoro-2-methylidenepyridine
SMILESC=C1C(C(C)(C)C)=CC(F)=CN1C(C)(C)C
InChIInChI=1S/C14H22FN/c1-10-12(13(2,3)4)8-11(15)9-16(10)14(5,6)7/h8-9H,1H2,2-7H3
InChIKeyVDNHQUOCJCTAOO-UHFFFAOYSA-N
MW223.33 g/mol
LogP4.40
Rot. Bonds

About 1,3-ditert-butyl-5-fluoro-2-methylidenepyridine

1,3-ditert-butyl-5-fluoro-2-methylidenepyridine (PubChem CID 170184385) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 1,3-ditert-butyl-5-fluoro-2-methylidenepyridine.

Molecular Properties

Compound Name1,3-ditert-butyl-5-fluoro-2-methylidenepyridine
PubChem CID170184385
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name1,3-ditert-butyl-5-fluoro-2-methylidenepyridine
SMILESC=C1C(C(C)(C)C)=CC(F)=CN1C(C)(C)C
InChIInChI=1S/C14H22FN/c1-10-12(13(2,3)4)8-11(15)9-16(10)14(5,6)7/h8-9H,1H2,2-7H3
InChIKeyVDNHQUOCJCTAOO-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl 4-fluorophenyl tetrahydro-pyridine
CID 129660793
4,8,10a-trimethyl-10H-pyrido[1,2-a]azepine
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1,4-Di-t-butylpyridine
CID 66942442
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-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
5-Tert-butyl-1-(1-fluoroethyl)-2-methylidenepyridine
CID 134559782
N-[1-(5-fluoro-3-methylcyclohexa-1,5-dien-1-yl)ethenyl]-N,2,2-trimethylbutan-1-amine
CID 146646318
3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine
CID 146669125
(1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine
CID 163475037
N-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-N,3,4-trimethylpenta-1,4-dien-2-amine
CID 166651269
2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine
CID 144915718

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-5-fluoro-2-methylidenepyridine?
The IUPAC name of 1,3-ditert-butyl-5-fluoro-2-methylidenepyridine (CID 170184385) is 1,3-ditert-butyl-5-fluoro-2-methylidenepyridine.
What is the SMILES notation for 1,3-ditert-butyl-5-fluoro-2-methylidenepyridine?
The canonical SMILES for 1,3-ditert-butyl-5-fluoro-2-methylidenepyridine is C=C1C(C(C)(C)C)=CC(F)=CN1C(C)(C)C.
What is the InChIKey of 1,3-ditert-butyl-5-fluoro-2-methylidenepyridine?
The InChIKey is VDNHQUOCJCTAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-10-12(13(2,3)4)8-11(15)9-16(10)14(5,6)7/h8-9H,1H2,2-7H3.
What are the key properties of 1,3-ditert-butyl-5-fluoro-2-methylidenepyridine?
1,3-ditert-butyl-5-fluoro-2-methylidenepyridine has a molecular weight of 223.33 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-5-fluoro-2-methylidenepyridine is sourced from PubChem (CID 170184385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).