(Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine

C9H14F2N2 — CID 163675939

IUPAC(Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine
SMILESC=C(F)C(=C)N/C=C\N(C)CCF
InChIInChI=1S/C9H14F2N2/c1-8(11)9(2)12-5-7-13(3)6-4-10/h5,7,12H,1-2,4,6H2,3H3/b7-5-
InChIKeyJGRZWNMIRRUWEM-ALCCZGGFSA-N
MW188.22 g/mol
LogP1.95
Rot. Bonds6

About (Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine

(Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine (PubChem CID 163675939) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is (Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine
PubChem CID163675939
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name(Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine
SMILESC=C(F)C(=C)N/C=C\N(C)CCF
InChIInChI=1S/C9H14F2N2/c1-8(11)9(2)12-5-7-13(3)6-4-10/h5,7,12H,1-2,4,6H2,3H3/b7-5-
InChIKeyJGRZWNMIRRUWEM-ALCCZGGFSA-N
XLogP1.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine with MolForge

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Related Compounds

(1E)-2-fluoro-3-N-methylbuta-1,3-diene-1,3-diamine
CID 89427091
(1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine
CID 126490173
(Z)-3,3,3-trifluoro-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine
CID 129157915
(Z)-N'-[(2E)-4-fluoropenta-2,4-dien-2-yl]-N,N'-dimethylethene-1,2-diamine
CID 146644462
(Z)-3,3,3-trifluoro-1-N,2-N,2-N-trimethylprop-1-ene-1,2-diamine
CID 155067438
(Z)-3,3,3-trifluoro-1-N,2-N-dimethyl-1-N-propan-2-ylprop-1-ene-1,2-diamine
CID 156290025
(Z)-1-N-ethyl-3,3,3-trifluoro-1-N,2-N-dimethylprop-1-ene-1,2-diamine
CID 156290040
(1E)-1-N-ethenyl-2-fluoro-3-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,3-diamine
CID 167120722
(1E)-1-N,2-difluoro-3-N-methylbuta-1,3-diene-1,3-diamine
CID 144864558
(1Z)-2-N-ethenyl-1-N,1-N-dimethylbuta-1,3-diene-1,2-diamine
CID 89528471
(Z)-N-buta-1,3-dien-2-yl-N',N'-dimethylethene-1,2-diamine
CID 126614791
(1Z)-1-N-ethenyl-1-N,3-N-dimethylbuta-1,3-diene-1,3-diamine
CID 138503022

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine?
The IUPAC name of (Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine (CID 163675939) is (Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine.
What is the SMILES notation for (Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine?
The canonical SMILES for (Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine is C=C(F)C(=C)N/C=C\N(C)CCF.
What is the InChIKey of (Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine?
The InChIKey is JGRZWNMIRRUWEM-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-8(11)9(2)12-5-7-13(3)6-4-10/h5,7,12H,1-2,4,6H2,3H3/b7-5-.
What are the key properties of (Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine?
(Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine has a molecular weight of 188.22 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-fluorobuta-1,3-dien-2-yl)-N'-(2-fluoroethyl)-N'-methylethene-1,2-diamine is sourced from PubChem (CID 163675939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).