(3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole

C13H17F2N — CID 142834194

IUPAC(3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole
SMILESC=c1[nH]cc(CC)/c1=C/C(C)=C(/F)C(C)F
InChIInChI=1S/C13H17F2N/c1-5-11-7-16-10(4)12(11)6-8(2)13(15)9(3)14/h6-7,9,16H,4-5H2,1-3H3/b12-6+,13-8+
InChIKeyDLXXFNJOAYUVNS-XTUZQTQMSA-N
MW225.28 g/mol
LogP2.37
Rot. Bonds3

About (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole

(3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole (PubChem CID 142834194) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole
PubChem CID142834194
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name(3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole
SMILESC=c1[nH]cc(CC)/c1=C/C(C)=C(/F)C(C)F
InChIInChI=1S/C13H17F2N/c1-5-11-7-16-10(4)12(11)6-8(2)13(15)9(3)14/h6-7,9,16H,4-5H2,1-3H3/b12-6+,13-8+
InChIKeyDLXXFNJOAYUVNS-XTUZQTQMSA-N
XLogP2.37
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,6Z)-3-ethylidene-4-methylidene-5-propan-2-ylidene-N-(2,2,2-trifluoroethyl)nona-1,6,8-trien-2-amine
CID 88278299
1-[(5Z,6Z)-5-ethylidene-4-fluoro-6-(3-methylbut-2-enylidene)cyclohexa-1,3-dien-1-yl]-N-methylethenamine
CID 89179384
1-[(2Z)-2-[(2E)-1,3-difluoropenta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl]ethenamine
CID 118882786
7-fluoro-4-methyl-5,6-dihydro-1H-indole
CID 123444746
1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine
CID 123887050
(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
CID 130349581
N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine
CID 134466184
(E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine
CID 134493447
(3Z)-N-ethyl-2-[[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]penta-1,3-dien-3-amine
CID 135269232
5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine
CID 138525147
(2Z)-2-(1-fluoro-2-methylprop-2-enylidene)-3-methylidene-1H-pyrrole
CID 145117775
ethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine
CID 145221446

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole?
The IUPAC name of (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole (CID 142834194) is (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole.
What is the SMILES notation for (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole?
The canonical SMILES for (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole is C=c1[nH]cc(CC)/c1=C/C(C)=C(/F)C(C)F.
What is the InChIKey of (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole?
The InChIKey is DLXXFNJOAYUVNS-XTUZQTQMSA-N. The full InChI is InChI=1S/C13H17F2N/c1-5-11-7-16-10(4)12(11)6-8(2)13(15)9(3)14/h6-7,9,16H,4-5H2,1-3H3/b12-6+,13-8+.
What are the key properties of (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole?
(3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole has a molecular weight of 225.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole is sourced from PubChem (CID 142834194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).