(2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole

C9H11F2N — CID 145145248

IUPAC(2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole
SMILESC/C(F)=c1/[nH]c(C)c/c1=C(/C)F
InChIInChI=1S/C9H11F2N/c1-5-4-8(6(2)10)9(12-5)7(3)11/h4,12H,1-3H3/b8-6+,9-7-
InChIKeyCCRRGYGZNRCXEU-FFELTBSMSA-N
MW171.19 g/mol
LogP1.52
Rot. Bonds

About (2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole

(2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole (PubChem CID 145145248) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is (2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole.

Molecular Properties

Compound Name(2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole
PubChem CID145145248
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name(2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole
SMILESC/C(F)=c1/[nH]c(C)c/c1=C(/C)F
InChIInChI=1S/C9H11F2N/c1-5-4-8(6(2)10)9(12-5)7(3)11/h4,12H,1-3H3/b8-6+,9-7-
InChIKeyCCRRGYGZNRCXEU-FFELTBSMSA-N
XLogP1.52
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole?
The IUPAC name of (2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole (CID 145145248) is (2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole.
What is the SMILES notation for (2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole?
The canonical SMILES for (2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole is C/C(F)=c1/[nH]c(C)c/c1=C(/C)F.
What is the InChIKey of (2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole?
The InChIKey is CCRRGYGZNRCXEU-FFELTBSMSA-N. The full InChI is InChI=1S/C9H11F2N/c1-5-4-8(6(2)10)9(12-5)7(3)11/h4,12H,1-3H3/b8-6+,9-7-.
What are the key properties of (2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole?
(2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole has a molecular weight of 171.19 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-2,3-bis(1-fluoroethylidene)-5-methyl-1H-pyrrole is sourced from PubChem (CID 145145248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).