(3Z)-5-N-ethyl-3,4-difluorohexa-1,3,5-triene-2,5-diamine

C8H12F2N2 — CID 142348649

IUPAC(3Z)-5-N-ethyl-3,4-difluorohexa-1,3,5-triene-2,5-diamine
SMILESC=C(N)/C(F)=C(/F)C(=C)NCC
InChIInChI=1S/C8H12F2N2/c1-4-12-6(3)8(10)7(9)5(2)11/h12H,2-4,11H2,1H3/b8-7-
InChIKeyHKCQBZUFUSXEGH-FPLPWBNLSA-N
MW174.19 g/mol
LogP1.73
Rot. Bonds4

About (3Z)-5-N-ethyl-3,4-difluorohexa-1,3,5-triene-2,5-diamine

(3Z)-5-N-ethyl-3,4-difluorohexa-1,3,5-triene-2,5-diamine (PubChem CID 142348649) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is (3Z)-5-N-ethyl-3,4-difluorohexa-1,3,5-triene-2,5-diamine.

Molecular Properties

Compound Name(3Z)-5-N-ethyl-3,4-difluorohexa-1,3,5-triene-2,5-diamine
PubChem CID142348649
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name(3Z)-5-N-ethyl-3,4-difluorohexa-1,3,5-triene-2,5-diamine
SMILESC=C(N)/C(F)=C(/F)C(=C)NCC
InChIInChI=1S/C8H12F2N2/c1-4-12-6(3)8(10)7(9)5(2)11/h12H,2-4,11H2,1H3/b8-7-
InChIKeyHKCQBZUFUSXEGH-FPLPWBNLSA-N
XLogP1.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-6-methyl-1,2-dihydropyridine
CID 118486766
3-N,1-dimethyl-6-(trifluoromethyl)-2H-pyridine-3,4-diamine
CID 122640398
(3E)-3-fluoro-N-propan-2-ylpenta-1,3-dien-2-amine
CID 135302027
(2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine
CID 137466729
(3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine
CID 142344412
(2E,4E)-N-ethyl-5-fluorohepta-2,4,6-trien-2-amine
CID 143108131
(2E,4Z)-N-(2-fluoroethyl)hepta-2,4,6-trien-3-amine
CID 144877773
(3Z,5Z)-2-N-(2,2-difluoroethyl)hepta-1,3,5-triene-2,3,6-triamine
CID 144968356
(3E)-N-ethyl-4-fluoropenta-1,3-dien-3-amine
CID 155152710
(3E)-N-ethyl-3-fluoropenta-1,3-dien-2-amine
CID 156300713
(2Z,4Z)-3-fluoro-N-prop-2-enylhexa-2,4-dien-2-amine
CID 156725768
N'-[(3E)-2-fluoropenta-1,3-dien-3-yl]-N-methylethane-1,2-diamine
CID 163756077

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-N-ethyl-3,4-difluorohexa-1,3,5-triene-2,5-diamine?
The IUPAC name of (3Z)-5-N-ethyl-3,4-difluorohexa-1,3,5-triene-2,5-diamine (CID 142348649) is (3Z)-5-N-ethyl-3,4-difluorohexa-1,3,5-triene-2,5-diamine.
What is the SMILES notation for (3Z)-5-N-ethyl-3,4-difluorohexa-1,3,5-triene-2,5-diamine?
The canonical SMILES for (3Z)-5-N-ethyl-3,4-difluorohexa-1,3,5-triene-2,5-diamine is C=C(N)/C(F)=C(/F)C(=C)NCC.
What is the InChIKey of (3Z)-5-N-ethyl-3,4-difluorohexa-1,3,5-triene-2,5-diamine?
The InChIKey is HKCQBZUFUSXEGH-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-4-12-6(3)8(10)7(9)5(2)11/h12H,2-4,11H2,1H3/b8-7-.
What are the key properties of (3Z)-5-N-ethyl-3,4-difluorohexa-1,3,5-triene-2,5-diamine?
(3Z)-5-N-ethyl-3,4-difluorohexa-1,3,5-triene-2,5-diamine has a molecular weight of 174.19 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-N-ethyl-3,4-difluorohexa-1,3,5-triene-2,5-diamine is sourced from PubChem (CID 142348649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).