(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole

C10H14FN — CID 143736416

IUPAC(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole
SMILESC/C=c1/[nH]c(C)c/c1=C(\F)CC
InChIInChI=1S/C10H14FN/c1-4-9(11)8-6-7(3)12-10(8)5-2/h5-6,12H,4H2,1-3H3/b9-8+,10-5+
InChIKeyZUHNWMIZZWBMQX-VZGHUFTCSA-N
MW167.23 g/mol
LogP1.61
Rot. Bonds1

About (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole

(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole (PubChem CID 143736416) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole.

Molecular Properties

Compound Name(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole
PubChem CID143736416
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole
SMILESC/C=c1/[nH]c(C)c/c1=C(\F)CC
InChIInChI=1S/C10H14FN/c1-4-9(11)8-6-7(3)12-10(8)5-2/h5-6,12H,4H2,1-3H3/b9-8+,10-5+
InChIKeyZUHNWMIZZWBMQX-VZGHUFTCSA-N
XLogP1.61
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole?
The IUPAC name of (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole (CID 143736416) is (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole.
What is the SMILES notation for (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole?
The canonical SMILES for (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole is C/C=c1/[nH]c(C)c/c1=C(\F)CC.
What is the InChIKey of (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole?
The InChIKey is ZUHNWMIZZWBMQX-VZGHUFTCSA-N. The full InChI is InChI=1S/C10H14FN/c1-4-9(11)8-6-7(3)12-10(8)5-2/h5-6,12H,4H2,1-3H3/b9-8+,10-5+.
What are the key properties of (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole?
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole has a molecular weight of 167.23 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-ethylidene-3-(1-fluoropropylidene)-5-methyl-1H-pyrrole is sourced from PubChem (CID 143736416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).