N-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine

C11H16FNO — CID 170589843

IUPACN-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine
SMILESC/C=C(F)\C=C/C(=C\C)NC1COC1
InChIInChI=1S/C11H16FNO/c1-3-9(12)5-6-10(4-2)13-11-7-14-8-11/h3-6,11,13H,7-8H2,1-2H3/b6-5-,9-3+,10-4+
InChIKeyZCYOOLVCGAUYLM-RTTBPYAMSA-N
MW197.25 g/mol
LogP2.31
Rot. Bonds4

About N-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine

N-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine (PubChem CID 170589843) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is N-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine
PubChem CID170589843
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC NameN-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine
SMILESC/C=C(F)\C=C/C(=C\C)NC1COC1
InChIInChI=1S/C11H16FNO/c1-3-9(12)5-6-10(4-2)13-11-7-14-8-11/h3-6,11,13H,7-8H2,1-2H3/b6-5-,9-3+,10-4+
InChIKeyZCYOOLVCGAUYLM-RTTBPYAMSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-2-N-(2-methoxyethyl)hepta-1,3,5-triene-2,5-diamine
CID 122518402
(2Z)-4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine
CID 139390286
(3E)-N-(2-ethoxyethyl)hexa-1,3,5-trien-3-amine
CID 144851941
(3Z)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylhexa-1,3,5-triene-2,5-diamine
CID 145175630
ethane;N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxetan-3-amine
CID 153334026
4-N-(2-methoxyethyl)penta-2,4-diene-1,4-diamine
CID 153422495
(2E)-N-(2-methoxyethyl)penta-2,4-dien-2-amine
CID 176939783

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine?
The IUPAC name of N-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine (CID 170589843) is N-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine.
What is the SMILES notation for N-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine?
The canonical SMILES for N-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine is C/C=C(F)\C=C/C(=C\C)NC1COC1.
What is the InChIKey of N-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine?
The InChIKey is ZCYOOLVCGAUYLM-RTTBPYAMSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-9(12)5-6-10(4-2)13-11-7-14-8-11/h3-6,11,13H,7-8H2,1-2H3/b6-5-,9-3+,10-4+.
What are the key properties of N-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine?
N-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine has a molecular weight of 197.25 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z,6E)-6-fluoroocta-2,4,6-trien-3-yl]oxetan-3-amine is sourced from PubChem (CID 170589843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).