(E,4Z)-4-(6-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-amine

C11H14FN — CID 170114213

IUPAC(E,4Z)-4-(6-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-amine
SMILESCC1=C/C(=C/C=C(\C)N)C(F)C=C1
InChIInChI=1S/C11H14FN/c1-8-3-6-11(12)10(7-8)5-4-9(2)13/h3-7,11H,13H2,1-2H3/b9-4+,10-5-
InChIKeyFXQYLSUXNHOWMC-FTBRZUGYSA-N
MW179.24 g/mol
LogP2.63
Rot. Bonds1

About (E,4Z)-4-(6-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-amine

(E,4Z)-4-(6-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-amine (PubChem CID 170114213) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (E,4Z)-4-(6-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-amine.

Molecular Properties

Compound Name(E,4Z)-4-(6-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-amine
PubChem CID170114213
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(E,4Z)-4-(6-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-amine
SMILESCC1=C/C(=C/C=C(\C)N)C(F)C=C1
InChIInChI=1S/C11H14FN/c1-8-3-6-11(12)10(7-8)5-4-9(2)13/h3-7,11H,13H2,1-2H3/b9-4+,10-5-
InChIKeyFXQYLSUXNHOWMC-FTBRZUGYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E,4Z)-4-(6-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-amine?
The IUPAC name of (E,4Z)-4-(6-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-amine (CID 170114213) is (E,4Z)-4-(6-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-amine.
What is the SMILES notation for (E,4Z)-4-(6-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-amine?
The canonical SMILES for (E,4Z)-4-(6-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-amine is CC1=C/C(=C/C=C(\C)N)C(F)C=C1.
What is the InChIKey of (E,4Z)-4-(6-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-amine?
The InChIKey is FXQYLSUXNHOWMC-FTBRZUGYSA-N. The full InChI is InChI=1S/C11H14FN/c1-8-3-6-11(12)10(7-8)5-4-9(2)13/h3-7,11H,13H2,1-2H3/b9-4+,10-5-.
What are the key properties of (E,4Z)-4-(6-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-amine?
(E,4Z)-4-(6-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-amine has a molecular weight of 179.24 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-4-(6-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-amine is sourced from PubChem (CID 170114213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).