(E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine

C11H12FN — CID 88961311

IUPAC(E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine
SMILESC=C/C=c1/c(C)ccc(F)/c1=C/N
InChIInChI=1S/C11H12FN/c1-3-4-9-8(2)5-6-11(12)10(9)7-13/h3-7H,1,13H2,2H3/b9-4-,10-7+
InChIKeyMMNQQFABLOPVDS-SWSBUGGLSA-N
MW177.22 g/mol
LogP0.80
Rot. Bonds1

About (E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine

(E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine (PubChem CID 88961311) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is (E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine.

Molecular Properties

Compound Name(E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine
PubChem CID88961311
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name(E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine
SMILESC=C/C=c1/c(C)ccc(F)/c1=C/N
InChIInChI=1S/C11H12FN/c1-3-4-9-8(2)5-6-11(12)10(9)7-13/h3-7H,1,13H2,2H3/b9-4-,10-7+
InChIKeyMMNQQFABLOPVDS-SWSBUGGLSA-N
XLogP0.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine?
The IUPAC name of (E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine (CID 88961311) is (E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine.
What is the SMILES notation for (E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine?
The canonical SMILES for (E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine is C=C/C=c1/c(C)ccc(F)/c1=C/N.
What is the InChIKey of (E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine?
The InChIKey is MMNQQFABLOPVDS-SWSBUGGLSA-N. The full InChI is InChI=1S/C11H12FN/c1-3-4-9-8(2)5-6-11(12)10(9)7-13/h3-7H,1,13H2,2H3/b9-4-,10-7+.
What are the key properties of (E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine?
(E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine has a molecular weight of 177.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine is sourced from PubChem (CID 88961311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).