3-[(3-fluorocyclohex-3-en-1-yl)methyl]-4-prop-1-en-2-ylpyridine

C15H18FN — CID 175120468

IUPAC3-[(3-fluorocyclohex-3-en-1-yl)methyl]-4-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ccncc1CC1CCC=C(F)C1
InChIInChI=1S/C15H18FN/c1-11(2)15-6-7-17-10-13(15)8-12-4-3-5-14(16)9-12/h5-7,10,12H,1,3-4,8-9H2,2H3
InChIKeyJBLGYFBYINEXMZ-UHFFFAOYSA-N
MW231.31 g/mol
LogP4.31
Rot. Bonds3

About 3-[(3-fluorocyclohex-3-en-1-yl)methyl]-4-prop-1-en-2-ylpyridine

3-[(3-fluorocyclohex-3-en-1-yl)methyl]-4-prop-1-en-2-ylpyridine (PubChem CID 175120468) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is 3-[(3-fluorocyclohex-3-en-1-yl)methyl]-4-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name3-[(3-fluorocyclohex-3-en-1-yl)methyl]-4-prop-1-en-2-ylpyridine
PubChem CID175120468
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC Name3-[(3-fluorocyclohex-3-en-1-yl)methyl]-4-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ccncc1CC1CCC=C(F)C1
InChIInChI=1S/C15H18FN/c1-11(2)15-6-7-17-10-13(15)8-12-4-3-5-14(16)9-12/h5-7,10,12H,1,3-4,8-9H2,2H3
InChIKeyJBLGYFBYINEXMZ-UHFFFAOYSA-N
XLogP4.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorocyclohex-3-en-1-yl)methyl]-4-prop-1-en-2-ylpyridine?
The IUPAC name of 3-[(3-fluorocyclohex-3-en-1-yl)methyl]-4-prop-1-en-2-ylpyridine (CID 175120468) is 3-[(3-fluorocyclohex-3-en-1-yl)methyl]-4-prop-1-en-2-ylpyridine.
What is the SMILES notation for 3-[(3-fluorocyclohex-3-en-1-yl)methyl]-4-prop-1-en-2-ylpyridine?
The canonical SMILES for 3-[(3-fluorocyclohex-3-en-1-yl)methyl]-4-prop-1-en-2-ylpyridine is C=C(C)c1ccncc1CC1CCC=C(F)C1.
What is the InChIKey of 3-[(3-fluorocyclohex-3-en-1-yl)methyl]-4-prop-1-en-2-ylpyridine?
The InChIKey is JBLGYFBYINEXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c1-11(2)15-6-7-17-10-13(15)8-12-4-3-5-14(16)9-12/h5-7,10,12H,1,3-4,8-9H2,2H3.
What are the key properties of 3-[(3-fluorocyclohex-3-en-1-yl)methyl]-4-prop-1-en-2-ylpyridine?
3-[(3-fluorocyclohex-3-en-1-yl)methyl]-4-prop-1-en-2-ylpyridine has a molecular weight of 231.31 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorocyclohex-3-en-1-yl)methyl]-4-prop-1-en-2-ylpyridine is sourced from PubChem (CID 175120468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).