(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine

C10H16FNO — CID 143904399

IUPAC(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
SMILESC=C/C(=C\C(=C/C)CN)OCCF
InChIInChI=1S/C10H16FNO/c1-3-9(8-12)7-10(4-2)13-6-5-11/h3-4,7H,2,5-6,8,12H2,1H3/b9-3+,10-7+
InChIKeyCGIRFSGTCKPCFP-NCOOIIRRSA-N
MW185.24 g/mol
LogP1.95
Rot. Bonds6

About (2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine

(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine (PubChem CID 143904399) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is (2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
PubChem CID143904399
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
SMILESC=C/C(=C\C(=C/C)CN)OCCF
InChIInChI=1S/C10H16FNO/c1-3-9(8-12)7-10(4-2)13-6-5-11/h3-4,7H,2,5-6,8,12H2,1H3/b9-3+,10-7+
InChIKeyCGIRFSGTCKPCFP-NCOOIIRRSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine
CID 123394914
(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
CID 143306820
(3E)-5-fluoro-4-methoxy-2-methylidenehexa-3,5-dien-1-amine
CID 144488234
(2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine
CID 155485579
(3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine
CID 163869876
(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine
CID 169127401
(2E,4E)-5-[(3Z,5Z)-3-[(E)-2-fluoroethenyl]hepta-3,5-dienoxy]-2-methylhexa-2,4-dien-1-amine
CID 144161716
(2E,4E)-2-ethyl-5-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienoxy]hexa-2,4-dien-1-amine
CID 144161735
(2E,3Z)-5-cyclohexa-1,3-dien-1-yloxy-2-ethylidenehexa-3,5-dien-1-amine
CID 88274875
(2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine
CID 88920479
(2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine
CID 89151483
(3Z,5E)-5-propoxyhepta-3,5-dien-1-amine
CID 89209291

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine?
The IUPAC name of (2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine (CID 143904399) is (2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine.
What is the SMILES notation for (2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine?
The canonical SMILES for (2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine is C=C/C(=C\C(=C/C)CN)OCCF.
What is the InChIKey of (2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine?
The InChIKey is CGIRFSGTCKPCFP-NCOOIIRRSA-N. The full InChI is InChI=1S/C10H16FNO/c1-3-9(8-12)7-10(4-2)13-6-5-11/h3-4,7H,2,5-6,8,12H2,1H3/b9-3+,10-7+.
What are the key properties of (2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine?
(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine has a molecular weight of 185.24 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 (2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine is sourced from PubChem (CID 143904399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).