(2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole

C9H10FN — CID 154678389

IUPAC(2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/[nH]cc(F)/c1=C/C
InChIInChI=1S/C9H10FN/c1-3-5-9-7(4-2)8(10)6-11-9/h3-6,11H,1H2,2H3/b7-4-,9-5+
InChIKeyDWWQTZYJKWNTMN-ICDOWURLSA-N
MW151.18 g/mol
LogP0.92
Rot. Bonds1

About (2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole

(2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole (PubChem CID 154678389) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is (2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole.

Molecular Properties

Compound Name(2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole
PubChem CID154678389
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name(2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/[nH]cc(F)/c1=C/C
InChIInChI=1S/C9H10FN/c1-3-5-9-7(4-2)8(10)6-11-9/h3-6,11H,1H2,2H3/b7-4-,9-5+
InChIKeyDWWQTZYJKWNTMN-ICDOWURLSA-N
XLogP0.92
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 57086633
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1H-cycloocta[b]pyrrole
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Lithium 1,7-dihydroindol-7-ide
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2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine
CID 118882786
6-(1,1-Difluoroethyl)-3-methyl-1,2-dihydropyridine
CID 122429849

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole?
The IUPAC name of (2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole (CID 154678389) is (2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole.
What is the SMILES notation for (2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole?
The canonical SMILES for (2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole is C=C/C=c1/[nH]cc(F)/c1=C/C.
What is the InChIKey of (2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole?
The InChIKey is DWWQTZYJKWNTMN-ICDOWURLSA-N. The full InChI is InChI=1S/C9H10FN/c1-3-5-9-7(4-2)8(10)6-11-9/h3-6,11H,1H2,2H3/b7-4-,9-5+.
What are the key properties of (2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole?
(2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole has a molecular weight of 151.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-3-ethylidene-4-fluoro-2-prop-2-enylidene-1H-pyrrole is sourced from PubChem (CID 154678389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).