(3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine

C11H18FNO — CID 171492435

IUPAC(3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine
SMILESC=C/C(OC)=C(/F)C(=C)N(C)CCC
InChIInChI=1S/C11H18FNO/c1-6-8-13(4)9(3)11(12)10(7-2)14-5/h7H,2-3,6,8H2,1,4-5H3/b11-10-
InChIKeyUFFYESLSZWTDKV-KHPPLWFESA-N
MW199.27 g/mol
LogP2.86
Rot. Bonds6

About (3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine

(3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine (PubChem CID 171492435) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is (3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine
PubChem CID171492435
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name(3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine
SMILESC=C/C(OC)=C(/F)C(=C)N(C)CCC
InChIInChI=1S/C11H18FNO/c1-6-8-13(4)9(3)11(12)10(7-2)14-5/h7H,2-3,6,8H2,1,4-5H3/b11-10-
InChIKeyUFFYESLSZWTDKV-KHPPLWFESA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine (CID 171492435) is (3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine is C=C/C(OC)=C(/F)C(=C)N(C)CCC.
What is the InChIKey of (3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine?
The InChIKey is UFFYESLSZWTDKV-KHPPLWFESA-N. The full InChI is InChI=1S/C11H18FNO/c1-6-8-13(4)9(3)11(12)10(7-2)14-5/h7H,2-3,6,8H2,1,4-5H3/b11-10-.
What are the key properties of (3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine?
(3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine has a molecular weight of 199.27 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-fluoro-4-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 171492435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).