(Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine

C11H13FINO — CID 123279958

IUPAC(Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine
SMILESCON/C(=C\CCI)c1ccc(F)cc1
InChIInChI=1S/C11H13FINO/c1-15-14-11(3-2-8-13)9-4-6-10(12)7-5-9/h3-7,14H,2,8H2,1H3/b11-3-
InChIKeyDYGPWPPCRGOZJY-JYOAFUTRSA-N
MW321.13 g/mol
LogP3.14
Rot. Bonds5

About (Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine

(Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine (PubChem CID 123279958) has the molecular formula C11H13FINO and a molecular weight of 321.13 g/mol. Its IUPAC name is (Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine
PubChem CID123279958
Molecular FormulaC11H13FINO
Molecular Weight321.13 g/mol
Exact Mass321.00
IUPAC Name(Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine
SMILESCON/C(=C\CCI)c1ccc(F)cc1
InChIInChI=1S/C11H13FINO/c1-15-14-11(3-2-8-13)9-4-6-10(12)7-5-9/h3-7,14H,2,8H2,1H3/b11-3-
InChIKeyDYGPWPPCRGOZJY-JYOAFUTRSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-methoxy-4-octylsulfanylbut-1-en-1-amine
CID 56989766
N-methoxy-1-phenylpent-1-en-1-amine
CID 91144897
N-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine
CID 90763048
methyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate
CID 67214792
(Z)-1-(4-fluorophenyl)-N-trimethylsilylprop-1-en-1-amine
CID 134932620
1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene
CID 166470478
CID 170307924
CID 170307924
ethyl 3-(4-fluorophenyl)-3-oxopropanoate;propane
CID 174275035
(E)-3-[4-(4-fluorophenyl)phenyl]but-2-en-1-ol
CID 58816048
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
4-O-[2-(4-fluorophenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239651
methyl (Z)-2-(4-fluorophenyl)-3-hydroxyprop-2-enoate
CID 67828382

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine?
The IUPAC name of (Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine (CID 123279958) is (Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine.
What is the SMILES notation for (Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine?
The canonical SMILES for (Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine is CON/C(=C\CCI)c1ccc(F)cc1.
What is the InChIKey of (Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine?
The InChIKey is DYGPWPPCRGOZJY-JYOAFUTRSA-N. The full InChI is InChI=1S/C11H13FINO/c1-15-14-11(3-2-8-13)9-4-6-10(12)7-5-9/h3-7,14H,2,8H2,1H3/b11-3-.
What are the key properties of (Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine?
(Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine has a molecular weight of 321.13 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine is sourced from PubChem (CID 123279958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).