(2Z)-2-[(Z)-1-fluoro-3,5,6-trimethylhept-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole

C16H24FN — CID 138613853

IUPAC(2Z)-2-[(Z)-1-fluoro-3,5,6-trimethylhept-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole
SMILESC=c1cc(C)[nH]/c1=C(F)/C=C(/C)CC(C)C(C)C
InChIInChI=1S/C16H24FN/c1-10(2)12(4)7-11(3)8-15(17)16-13(5)9-14(6)18-16/h8-10,12,18H,5,7H2,1-4,6H3/b11-8-,16-15-
InChIKeyXLTYZKRGLOEJJN-IWJOUKIMSA-N
MW249.37 g/mol
LogP3.44
Rot. Bonds4

About (2Z)-2-[(Z)-1-fluoro-3,5,6-trimethylhept-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole

(2Z)-2-[(Z)-1-fluoro-3,5,6-trimethylhept-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole (PubChem CID 138613853) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is (2Z)-2-[(Z)-1-fluoro-3,5,6-trimethylhept-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(2Z)-2-[(Z)-1-fluoro-3,5,6-trimethylhept-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole
PubChem CID138613853
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name(2Z)-2-[(Z)-1-fluoro-3,5,6-trimethylhept-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole
SMILESC=c1cc(C)[nH]/c1=C(F)/C=C(/C)CC(C)C(C)C
InChIInChI=1S/C16H24FN/c1-10(2)12(4)7-11(3)8-15(17)16-13(5)9-14(6)18-16/h8-10,12,18H,5,7H2,1-4,6H3/b11-8-,16-15-
InChIKeyXLTYZKRGLOEJJN-IWJOUKIMSA-N
XLogP3.44
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(Z)-1-fluoro-3,5,6-trimethylhept-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole?
The IUPAC name of (2Z)-2-[(Z)-1-fluoro-3,5,6-trimethylhept-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole (CID 138613853) is (2Z)-2-[(Z)-1-fluoro-3,5,6-trimethylhept-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole.
What is the SMILES notation for (2Z)-2-[(Z)-1-fluoro-3,5,6-trimethylhept-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole?
The canonical SMILES for (2Z)-2-[(Z)-1-fluoro-3,5,6-trimethylhept-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole is C=c1cc(C)[nH]/c1=C(F)/C=C(/C)CC(C)C(C)C.
What is the InChIKey of (2Z)-2-[(Z)-1-fluoro-3,5,6-trimethylhept-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole?
The InChIKey is XLTYZKRGLOEJJN-IWJOUKIMSA-N. The full InChI is InChI=1S/C16H24FN/c1-10(2)12(4)7-11(3)8-15(17)16-13(5)9-14(6)18-16/h8-10,12,18H,5,7H2,1-4,6H3/b11-8-,16-15-.
What are the key properties of (2Z)-2-[(Z)-1-fluoro-3,5,6-trimethylhept-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole?
(2Z)-2-[(Z)-1-fluoro-3,5,6-trimethylhept-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole has a molecular weight of 249.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-1-fluoro-3,5,6-trimethylhept-2-enylidene]-5-methyl-3-methylidene-1H-pyrrole is sourced from PubChem (CID 138613853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).