(3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine

C10H16FNO — CID 138711458

IUPAC(3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine
SMILESC=C(N)/C=C(/F)C/C(=C\CC)OC
InChIInChI=1S/C10H16FNO/c1-4-5-10(13-3)7-9(11)6-8(2)12/h5-6H,2,4,7,12H2,1,3H3/b9-6+,10-5+
InChIKeyAVRZTKCKFWWVTP-TXFIJWAUSA-N
MW185.24 g/mol
LogP2.64
Rot. Bonds5

About (3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine

(3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine (PubChem CID 138711458) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is (3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine.

Molecular Properties

Compound Name(3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine
PubChem CID138711458
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name(3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine
SMILESC=C(N)/C=C(/F)C/C(=C\CC)OC
InChIInChI=1S/C10H16FNO/c1-4-5-10(13-3)7-9(11)6-8(2)12/h5-6H,2,4,7,12H2,1,3H3/b9-6+,10-5+
InChIKeyAVRZTKCKFWWVTP-TXFIJWAUSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.64
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'}

Analyze (3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(3E,5E)-1-fluoro-6-methoxyhexa-3,5-dien-3-amine
CID 89074002
6-Fluoro-4-methoxy-2-methylcyclohepta-1,3,6-trien-1-amine
CID 138711459
(3E,5E)-6-(trifluoromethoxy)hepta-3,5-dien-3-amine
CID 142164428
2-Fluoro-5-methoxycyclohexa-1,5-dien-1-amine
CID 145165386
(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine
CID 134176903
(3E)-6-methoxyhepta-1,3,6-trien-4-amine
CID 134484577
(3E)-4-methoxyhexa-1,3-dien-2-amine
CID 139378141
Ethane;molecular hydrogen;4-propoxycyclohepta-1,3,6-trien-1-amine
CID 141975281
4-Methoxycyclohepta-1,3,6-trien-1-amine
CID 142264180
(2E,4E)-5-methoxyhepta-2,4-dien-2-amine
CID 142597245
(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-amine;molecular hydrogen
CID 144288969
(2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine
CID 145234596

Frequently Asked Questions

What is the IUPAC name of (3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine?
The IUPAC name of (3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine (CID 138711458) is (3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine.
What is the SMILES notation for (3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine?
The canonical SMILES for (3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine is C=C(N)/C=C(/F)C/C(=C\CC)OC.
What is the InChIKey of (3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine?
The InChIKey is AVRZTKCKFWWVTP-TXFIJWAUSA-N. The full InChI is InChI=1S/C10H16FNO/c1-4-5-10(13-3)7-9(11)6-8(2)12/h5-6H,2,4,7,12H2,1,3H3/b9-6+,10-5+.
What are the key properties of (3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine?
(3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine has a molecular weight of 185.24 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine is sourced from PubChem (CID 138711458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).