(Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine

C11H14FNO — CID 135060564

IUPAC(Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine
SMILESCOc1ccc(/C=C(\F)[C@H](C)N)cc1
InChIInChI=1S/C11H14FNO/c1-8(13)11(12)7-9-3-5-10(14-2)6-4-9/h3-8H,13H2,1-2H3/b11-7-/t8-/m0/s1
InChIKeyXGSGOFORZJYEDA-CLUBXZQOSA-N
MW195.24 g/mol
LogP2.35
Rot. Bonds3

About (Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine

(Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine (PubChem CID 135060564) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine.

Molecular Properties

Compound Name(Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine
PubChem CID135060564
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine
SMILESCOc1ccc(/C=C(\F)[C@H](C)N)cc1
InChIInChI=1S/C11H14FNO/c1-8(13)11(12)7-9-3-5-10(14-2)6-4-9/h3-8H,13H2,1-2H3/b11-7-/t8-/m0/s1
InChIKeyXGSGOFORZJYEDA-CLUBXZQOSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine?
The IUPAC name of (Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine (CID 135060564) is (Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine.
What is the SMILES notation for (Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine?
The canonical SMILES for (Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine is COc1ccc(/C=C(\F)[C@H](C)N)cc1.
What is the InChIKey of (Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine?
The InChIKey is XGSGOFORZJYEDA-CLUBXZQOSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8(13)11(12)7-9-3-5-10(14-2)6-4-9/h3-8H,13H2,1-2H3/b11-7-/t8-/m0/s1.
What are the key properties of (Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine?
(Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine has a molecular weight of 195.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-3-fluoro-4-(4-methoxyphenyl)but-3-en-2-amine is sourced from PubChem (CID 135060564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).