(2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole

C11H14FN — CID 167047016

IUPAC(2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole
SMILESC=C(F)/C=c1\c(=C/C)cc(C)n1C
InChIInChI=1S/C11H14FN/c1-5-10-7-9(3)13(4)11(10)6-8(2)12/h5-7H,2H2,1,3-4H3/b10-5-,11-6+
InChIKeySAYAXSKCPVWBOK-JZKFVHIFSA-N
MW179.24 g/mol
LogP1.40
Rot. Bonds1

About (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole

(2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole (PubChem CID 167047016) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole.

Molecular Properties

Compound Name(2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole
PubChem CID167047016
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole
SMILESC=C(F)/C=c1\c(=C/C)cc(C)n1C
InChIInChI=1S/C11H14FN/c1-5-10-7-9(3)13(4)11(10)6-8(2)12/h5-7H,2H2,1,3-4H3/b10-5-,11-6+
InChIKeySAYAXSKCPVWBOK-JZKFVHIFSA-N
XLogP1.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dimethylaminofulvene
CID 90007951
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
2-Ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium
CID 123139499
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
N,N,3-trimethyl-6-(trifluoromethyl)deca-2,4,6-trien-4-amine
CID 123265710
2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
CID 123501893
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847
(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine
CID 129041662
1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine
CID 138509575
(2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine
CID 139386354
1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium
CID 141175474

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole?
The IUPAC name of (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole (CID 167047016) is (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole.
What is the SMILES notation for (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole?
The canonical SMILES for (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole is C=C(F)/C=c1\c(=C/C)cc(C)n1C.
What is the InChIKey of (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole?
The InChIKey is SAYAXSKCPVWBOK-JZKFVHIFSA-N. The full InChI is InChI=1S/C11H14FN/c1-5-10-7-9(3)13(4)11(10)6-8(2)12/h5-7H,2H2,1,3-4H3/b10-5-,11-6+.
What are the key properties of (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole?
(2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole has a molecular weight of 179.24 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-ethylidene-2-(2-fluoroprop-2-enylidene)-1,5-dimethylpyrrole is sourced from PubChem (CID 167047016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).