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(3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole

C13H17F2N — CID 142834194

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole
SMILESC=c1[nH]cc(CC)/c1=C/C(C)=C(/F)C(C)F
InChIInChI=1S/C13H17F2N/c1-5-11-7-16-10(4)12(11)6-8(2)13(15)9(3)14/h6-7,9,16H,4-5H2,1-3H3/b12-6+,13-8+
InChIKeyDLXXFNJOAYUVNS-XTUZQTQMSA-N
MW225.28 g/mol
LogP2.37
Rot. Bonds3

About (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole

(3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole (PubChem CID 142834194) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole
PubChem CID142834194
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name(3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole
SMILESC=c1[nH]cc(CC)/c1=C/C(C)=C(/F)C(C)F
InChIInChI=1S/C13H17F2N/c1-5-11-7-16-10(4)12(11)6-8(2)13(15)9(3)14/h6-7,9,16H,4-5H2,1-3H3/b12-6+,13-8+
InChIKeyDLXXFNJOAYUVNS-XTUZQTQMSA-N
XLogP2.37
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole?
The IUPAC name of (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole (CID 142834194) is (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole.
What is the SMILES notation for (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole?
The canonical SMILES for (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole is C=c1[nH]cc(CC)/c1=C/C(C)=C(/F)C(C)F.
What is the InChIKey of (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole?
The InChIKey is DLXXFNJOAYUVNS-XTUZQTQMSA-N. The full InChI is InChI=1S/C13H17F2N/c1-5-11-7-16-10(4)12(11)6-8(2)13(15)9(3)14/h6-7,9,16H,4-5H2,1-3H3/b12-6+,13-8+.
What are the key properties of (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole?
(3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole has a molecular weight of 225.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole is sourced from PubChem (CID 142834194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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