(2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine

C8H12FNO — CID 169253016

IUPAC(2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine
SMILESC=C/C(F)=C(OC)\C(N)=C/C
InChIInChI=1S/C8H12FNO/c1-4-6(9)8(11-3)7(10)5-2/h4-5H,1,10H2,2-3H3/b7-5+,8-6-
InChIKeyNQLGNAUFKJXTRB-YMBWGVAGSA-N
MW157.19 g/mol
LogP1.86
Rot. Bonds3

About (2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine

(2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine (PubChem CID 169253016) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine
PubChem CID169253016
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine
SMILESC=C/C(F)=C(OC)\C(N)=C/C
InChIInChI=1S/C8H12FNO/c1-4-6(9)8(11-3)7(10)5-2/h4-5H,1,10H2,2-3H3/b7-5+,8-6-
InChIKeyNQLGNAUFKJXTRB-YMBWGVAGSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.86
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

(2E,4E)-5-fluoro-6-methoxyhepta-2,4,6-trien-3-amine
CID 89074120
(2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine
CID 135210390
(3E)-5-ethoxy-3-fluorohexa-1,3,5-trien-2-amine
CID 143431970
(3E)-3-fluoro-5-methoxyhexa-1,3,5-trien-2-amine
CID 144251334
(3Z)-5-fluoro-4-methoxyhexa-1,3,5-trien-3-amine
CID 144625075
(3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine
CID 145179777
(3E)-5-fluoro-3-methoxyhexa-1,3,5-trien-2-amine
CID 146382961
(3Z)-4-fluoro-3-methoxyhexa-1,3,5-trien-2-amine
CID 146406829
(2E,4E)-1-fluoro-5-methoxyhepta-2,4,6-trien-2-amine
CID 143415585
(2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine
CID 154006651
(3Z,5E)-5-methoxy-3-(trifluoromethyl)hepta-1,3,5-trien-4-amine
CID 162589046
(3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine
CID 178134132

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine (CID 169253016) is (2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine is C=C/C(F)=C(OC)\C(N)=C/C.
What is the InChIKey of (2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine?
The InChIKey is NQLGNAUFKJXTRB-YMBWGVAGSA-N. The full InChI is InChI=1S/C8H12FNO/c1-4-6(9)8(11-3)7(10)5-2/h4-5H,1,10H2,2-3H3/b7-5+,8-6-.
What are the key properties of (2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine?
(2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine has a molecular weight of 157.19 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 169253016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).