(Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine

C13H15FN4O — CID 162369025

IUPAC(Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCn1ncc(-c2ccc(OC/C(=C\F)CN)cc2)n1
InChIInChI=1S/C13H15FN4O/c1-18-16-8-13(17-18)11-2-4-12(5-3-11)19-9-10(6-14)7-15/h2-6,8H,7,9,15H2,1H3/b10-6-
InChIKeyFYEXAHBWSAOGRR-POHAHGRESA-N
MW262.29 g/mol
LogP1.67
Rot. Bonds5

About (Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine

(Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 162369025) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is (Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine
PubChem CID162369025
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name(Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESCn1ncc(-c2ccc(OC/C(=C\F)CN)cc2)n1
InChIInChI=1S/C13H15FN4O/c1-18-16-8-13(17-18)11-2-4-12(5-3-11)19-9-10(6-14)7-15/h2-6,8H,7,9,15H2,1H3/b10-6-
InChIKeyFYEXAHBWSAOGRR-POHAHGRESA-N
XLogP1.67
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine (CID 162369025) is (Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine is Cn1ncc(-c2ccc(OC/C(=C\F)CN)cc2)n1.
What is the InChIKey of (Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is FYEXAHBWSAOGRR-POHAHGRESA-N. The full InChI is InChI=1S/C13H15FN4O/c1-18-16-8-13(17-18)11-2-4-12(5-3-11)19-9-10(6-14)7-15/h2-6,8H,7,9,15H2,1H3/b10-6-.
What are the key properties of (Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine?
(Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 262.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-2-[[4-(2-methyltriazol-4-yl)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 162369025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).