(3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole

C7H8FN — CID 145145369

IUPAC(3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole
SMILESC=c1[nH]c(C)c/c1=C\F
InChIInChI=1S/C7H8FN/c1-5-3-7(4-8)6(2)9-5/h3-4,9H,2H2,1H3/b7-4+
InChIKeyONFKHRIUFUQFKS-QPJJXVBHSA-N
MW125.15 g/mol
LogP0.44
Rot. Bonds

About (3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole

(3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole (PubChem CID 145145369) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is (3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole
PubChem CID145145369
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name(3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole
SMILESC=c1[nH]c(C)c/c1=C\F
InChIInChI=1S/C7H8FN/c1-5-3-7(4-8)6(2)9-5/h3-4,9H,2H2,1H3/b7-4+
InChIKeyONFKHRIUFUQFKS-QPJJXVBHSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole?
The IUPAC name of (3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole (CID 145145369) is (3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole.
What is the SMILES notation for (3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole?
The canonical SMILES for (3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole is C=c1[nH]c(C)c/c1=C\F.
What is the InChIKey of (3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole?
The InChIKey is ONFKHRIUFUQFKS-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H8FN/c1-5-3-7(4-8)6(2)9-5/h3-4,9H,2H2,1H3/b7-4+.
What are the key properties of (3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole?
(3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole has a molecular weight of 125.15 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(fluoromethylidene)-5-methyl-2-methylidene-1H-pyrrole is sourced from PubChem (CID 145145369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).