(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine

C11H12FN — CID 155181207

IUPAC(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine
SMILESC=C/N=C(C)/C=C1/C=CC(F)=CC1
InChIInChI=1S/C11H12FN/c1-3-13-9(2)8-10-4-6-11(12)7-5-10/h3-4,6-8H,1,5H2,2H3/b10-8-,13-9+
InChIKeyCRSXMZCMZMZHGD-KKCPJAHZSA-N
MW177.22 g/mol
LogP3.33
Rot. Bonds2

About (1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine

(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine (PubChem CID 155181207) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is (1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine.

Molecular Properties

Compound Name(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine
PubChem CID155181207
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine
SMILESC=C/N=C(C)/C=C1/C=CC(F)=CC1
InChIInChI=1S/C11H12FN/c1-3-13-9(2)8-10-4-6-11(12)7-5-10/h3-4,6-8H,1,5H2,2H3/b10-8-,13-9+
InChIKeyCRSXMZCMZMZHGD-KKCPJAHZSA-N
XLogP3.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine?
The IUPAC name of (1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine (CID 155181207) is (1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine.
What is the SMILES notation for (1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine?
The canonical SMILES for (1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine is C=C/N=C(C)/C=C1/C=CC(F)=CC1.
What is the InChIKey of (1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine?
The InChIKey is CRSXMZCMZMZHGD-KKCPJAHZSA-N. The full InChI is InChI=1S/C11H12FN/c1-3-13-9(2)8-10-4-6-11(12)7-5-10/h3-4,6-8H,1,5H2,2H3/b10-8-,13-9+.
What are the key properties of (1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine?
(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine has a molecular weight of 177.22 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine is sourced from PubChem (CID 155181207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).