(3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine

C7H10FNO — CID 142875988

IUPAC(3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(/F)C(=C)OC
InChIInChI=1S/C7H10FNO/c1-5(9)4-7(8)6(2)10-3/h4H,1-2,9H2,3H3/b7-4+
InChIKeyCGMUFYJGDDSYAM-QPJJXVBHSA-N
MW143.16 g/mol
LogP1.47
Rot. Bonds3

About (3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine

(3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine (PubChem CID 142875988) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is (3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine
PubChem CID142875988
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name(3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(/F)C(=C)OC
InChIInChI=1S/C7H10FNO/c1-5(9)4-7(8)6(2)10-3/h4H,1-2,9H2,3H3/b7-4+
InChIKeyCGMUFYJGDDSYAM-QPJJXVBHSA-N
XLogP1.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.47
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
(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
CID 126604387
(3E)-2-fluoro-5-methoxyhexa-3,5-dien-3-amine
CID 139473198
(3E)-5-ethoxy-4-fluorohexa-1,3,5-trien-2-amine
CID 142348734
(3E,5E)-4-fluoro-5-methoxy-N-methylhepta-1,3,5-trien-2-amine
CID 143206210
(3E)-4-fluoro-5-methoxy-N-methylhexa-1,3,5-trien-2-amine
CID 143206346
(3E)-5-ethoxy-3-fluorohexa-1,3,5-trien-2-amine
CID 143431970
(3E)-5-fluoro-4-methoxyhexa-1,3,5-trien-2-amine
CID 144042138
(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

Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine (CID 142875988) is (3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine is C=C(N)/C=C(/F)C(=C)OC.
What is the InChIKey of (3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine?
The InChIKey is CGMUFYJGDDSYAM-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H10FNO/c1-5(9)4-7(8)6(2)10-3/h4H,1-2,9H2,3H3/b7-4+.
What are the key properties of (3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine?
(3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine has a molecular weight of 143.16 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 142875988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).