(1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine

C9H13F3N2 — CID 174086267

IUPAC(1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine
SMILESCC=N/C(N)=C\C(=C\C(F)(F)F)CC
InChIInChI=1S/C9H13F3N2/c1-3-7(6-9(10,11)12)5-8(13)14-4-2/h4-6H,3,13H2,1-2H3/b7-6+,8-5-,14-4?
InChIKeyDYAXNCDLBFCWPD-GCTNUAOSSA-N
MW206.21 g/mol
LogP2.78
Rot. Bonds3

About (1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine

(1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine (PubChem CID 174086267) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is (1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine
PubChem CID174086267
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name(1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine
SMILESCC=N/C(N)=C\C(=C\C(F)(F)F)CC
InChIInChI=1S/C9H13F3N2/c1-3-7(6-9(10,11)12)5-8(13)14-4-2/h4-6H,3,13H2,1-2H3/b7-6+,8-5-,14-4?
InChIKeyDYAXNCDLBFCWPD-GCTNUAOSSA-N
XLogP2.78
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 90705914
7,7,7-Trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 91534333
N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
(2E,4E)-4-(1,1-difluoroethyl)-6-iminohexa-2,4-dien-2-amine
CID 118019248
4,5-Di(ethylidene)-3-fluoropyridin-2-amine
CID 123974610
N-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimine
CID 139320155
1-[(Z)-[(4E)-5-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]amino]ethenamine
CID 144049148
4-ethyl-5-(trifluoromethyl)-3H-azepin-7-amine
CID 155328067
(6Z)-7-(trifluoromethyl)-4,5-dihydroazocin-2-amine
CID 174004317
N-[(3Z)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]ethanimine
CID 145025454
(1Z,3Z)-1-[(Z)-ethylideneamino]-2-prop-1-en-2-ylpenta-1,3-dien-1-amine
CID 129312448
(Z)-(ethylideneamino)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine
CID 173697331

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine (CID 174086267) is (1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine is CC=N/C(N)=C\C(=C\C(F)(F)F)CC.
What is the InChIKey of (1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine?
The InChIKey is DYAXNCDLBFCWPD-GCTNUAOSSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-3-7(6-9(10,11)12)5-8(13)14-4-2/h4-6H,3,13H2,1-2H3/b7-6+,8-5-,14-4?.
What are the key properties of (1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine?
(1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine has a molecular weight of 206.21 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine is sourced from PubChem (CID 174086267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).