(3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole

C7H8FN — CID 170065429

IUPAC(3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole
SMILESC=c1[nH]cc/c1=C(/C)F
InChIInChI=1S/C7H8FN/c1-5(8)7-3-4-9-6(7)2/h3-4,9H,2H2,1H3/b7-5+
InChIKeyXBOFJUIQCZCVBQ-FNORWQNLSA-N
MW125.15 g/mol
LogP0.52
Rot. Bonds

About (3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole

(3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole (PubChem CID 170065429) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is (3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole
PubChem CID170065429
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name(3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole
SMILESC=c1[nH]cc/c1=C(/C)F
InChIInChI=1S/C7H8FN/c1-5(8)7-3-4-9-6(7)2/h3-4,9H,2H2,1H3/b7-5+
InChIKeyXBOFJUIQCZCVBQ-FNORWQNLSA-N
XLogP0.52
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
(Z)-chloro-[(3E)-3-(1-fluoroprop-2-enylidene)-1H-pyrrol-2-ylidene]methanamine
CID 88880540
(Z)-bromo-[(3E)-3-(1-fluoroprop-2-enylidene)-1H-pyrrol-2-ylidene]methanamine
CID 88880559
3-Fluoro-4-methyl-1,2-dihydropyridine
CID 89160332
2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole
CID 123276003
4-fluoro-5,6-dihydro-1H-indole
CID 123307377
2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole
CID 123394351
7-fluoro-4-methyl-5,6-dihydro-1H-indole
CID 123444746
3-(1-fluoroethylidene)-2-propylidene-1H-pyrrole
CID 123451091
3-fluoro-4-methyl-2-methylidene-1H-pyridine
CID 134432270
5-fluoro-5-methyl-1H-cyclohepta[b]pyrrole
CID 142064678
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CID 142239016

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole?
The IUPAC name of (3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole (CID 170065429) is (3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole.
What is the SMILES notation for (3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole?
The canonical SMILES for (3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole is C=c1[nH]cc/c1=C(/C)F.
What is the InChIKey of (3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole?
The InChIKey is XBOFJUIQCZCVBQ-FNORWQNLSA-N. The full InChI is InChI=1S/C7H8FN/c1-5(8)7-3-4-9-6(7)2/h3-4,9H,2H2,1H3/b7-5+.
What are the key properties of (3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole?
(3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole has a molecular weight of 125.15 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-fluoroethylidene)-2-methylidene-1H-pyrrole is sourced from PubChem (CID 170065429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).