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

C12H22FNO — CID 143904398

IUPACethane;(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
SMILESC=C/C(=C\C(=C/C)CN)OCCF.CC
InChIInChI=1S/C10H16FNO.C2H6/c1-3-9(8-12)7-10(4-2)13-6-5-11;1-2/h3-4,7H,2,5-6,8,12H2,1H3;1-2H3/b9-3+,10-7+;
InChIKeyIBDCMDZEXGCPSX-QMCDHHRMSA-N
MW215.31 g/mol
LogP2.97
Rot. Bonds6

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

ethane;(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine (PubChem CID 143904398) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is ethane;(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine.

Molecular Properties

Compound Nameethane;(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
PubChem CID143904398
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Nameethane;(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
SMILESC=C/C(=C\C(=C/C)CN)OCCF.CC
InChIInChI=1S/C10H16FNO.C2H6/c1-3-9(8-12)7-10(4-2)13-6-5-11;1-2/h3-4,7H,2,5-6,8,12H2,1H3;1-2H3/b9-3+,10-7+;
InChIKeyIBDCMDZEXGCPSX-QMCDHHRMSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.97
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,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
CID 143904399
(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

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine?
The IUPAC name of ethane;(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine (CID 143904398) is ethane;(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine.
What is the SMILES notation for ethane;(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine?
The canonical SMILES for ethane;(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine is C=C/C(=C\C(=C/C)CN)OCCF.CC.
What is the InChIKey of ethane;(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine?
The InChIKey is IBDCMDZEXGCPSX-QMCDHHRMSA-N. The full InChI is InChI=1S/C10H16FNO.C2H6/c1-3-9(8-12)7-10(4-2)13-6-5-11;1-2/h3-4,7H,2,5-6,8,12H2,1H3;1-2H3/b9-3+,10-7+;.
What are the key properties of ethane;(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine?
ethane;(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine has a molecular weight of 215.31 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine is sourced from PubChem (CID 143904398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).