(5E)-2,3-bis(ethenyl)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1H-pyrrole

C12H12FN — CID 155283699

IUPAC(5E)-2,3-bis(ethenyl)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1H-pyrrole
SMILESC=Cc1[nH]/c(=C/C(=C)F)c(=C)c1C=C
InChIInChI=1S/C12H12FN/c1-5-10-9(4)12(7-8(3)13)14-11(10)6-2/h5-7,14H,1-4H2/b12-7+
InChIKeyMWYPPRMBELDKAE-KPKJPENVSA-N
MW189.23 g/mol
LogP1.97
Rot. Bonds3

About (5E)-2,3-bis(ethenyl)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1H-pyrrole

(5E)-2,3-bis(ethenyl)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1H-pyrrole (PubChem CID 155283699) has the molecular formula C12H12FN and a molecular weight of 189.23 g/mol. Its IUPAC name is (5E)-2,3-bis(ethenyl)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(5E)-2,3-bis(ethenyl)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1H-pyrrole
PubChem CID155283699
Molecular FormulaC12H12FN
Molecular Weight189.23 g/mol
Exact Mass189.10
IUPAC Name(5E)-2,3-bis(ethenyl)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1H-pyrrole
SMILESC=Cc1[nH]/c(=C/C(=C)F)c(=C)c1C=C
InChIInChI=1S/C12H12FN/c1-5-10-9(4)12(7-8(3)13)14-11(10)6-2/h5-7,14H,1-4H2/b12-7+
InChIKeyMWYPPRMBELDKAE-KPKJPENVSA-N
XLogP1.97
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5E)-2,3-bis(ethenyl)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1H-pyrrole?
The IUPAC name of (5E)-2,3-bis(ethenyl)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1H-pyrrole (CID 155283699) is (5E)-2,3-bis(ethenyl)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1H-pyrrole.
What is the SMILES notation for (5E)-2,3-bis(ethenyl)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1H-pyrrole?
The canonical SMILES for (5E)-2,3-bis(ethenyl)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1H-pyrrole is C=Cc1[nH]/c(=C/C(=C)F)c(=C)c1C=C.
What is the InChIKey of (5E)-2,3-bis(ethenyl)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1H-pyrrole?
The InChIKey is MWYPPRMBELDKAE-KPKJPENVSA-N. The full InChI is InChI=1S/C12H12FN/c1-5-10-9(4)12(7-8(3)13)14-11(10)6-2/h5-7,14H,1-4H2/b12-7+.
What are the key properties of (5E)-2,3-bis(ethenyl)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1H-pyrrole?
(5E)-2,3-bis(ethenyl)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1H-pyrrole has a molecular weight of 189.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2,3-bis(ethenyl)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1H-pyrrole is sourced from PubChem (CID 155283699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).