3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine

C11H14FN — CID 139296336

IUPAC3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine
SMILESC=C(C)c1cnc(C(C)C)c(F)c1
InChIInChI=1S/C11H14FN/c1-7(2)9-5-10(12)11(8(3)4)13-6-9/h5-6,8H,1H2,2-4H3
InChIKeyJZPAGATWTPOXNC-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.38
Rot. Bonds2

About 3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine

3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine (PubChem CID 139296336) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine
PubChem CID139296336
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine
SMILESC=C(C)c1cnc(C(C)C)c(F)c1
InChIInChI=1S/C11H14FN/c1-7(2)9-5-10(12)11(8(3)4)13-6-9/h5-6,8H,1H2,2-4H3
InChIKeyJZPAGATWTPOXNC-UHFFFAOYSA-N
XLogP3.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine?
The IUPAC name of 3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine (CID 139296336) is 3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine.
What is the SMILES notation for 3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine?
The canonical SMILES for 3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine is C=C(C)c1cnc(C(C)C)c(F)c1.
What is the InChIKey of 3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine?
The InChIKey is JZPAGATWTPOXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-7(2)9-5-10(12)11(8(3)4)13-6-9/h5-6,8H,1H2,2-4H3.
What are the key properties of 3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine?
3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine has a molecular weight of 179.24 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 3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine is sourced from PubChem (CID 139296336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).