N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine

C10H14FN — CID 142913457

IUPACN-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine
SMILESC/C=N/C(C)C1=C(F)CCC=C1
InChIInChI=1S/C10H14FN/c1-3-12-8(2)9-6-4-5-7-10(9)11/h3-4,6,8H,5,7H2,1-2H3/b12-3+
InChIKeySEHDGAPOKADZDJ-KGVSQERTSA-N
MW167.23 g/mol
LogP3.04
Rot. Bonds2

About N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine

N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine (PubChem CID 142913457) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine.

Molecular Properties

Compound NameN-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine
PubChem CID142913457
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC NameN-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine
SMILESC/C=N/C(C)C1=C(F)CCC=C1
InChIInChI=1S/C10H14FN/c1-3-12-8(2)9-6-4-5-7-10(9)11/h3-4,6,8H,5,7H2,1-2H3/b12-3+
InChIKeySEHDGAPOKADZDJ-KGVSQERTSA-N
XLogP3.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.04
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 N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine?
The IUPAC name of N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine (CID 142913457) is N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine.
What is the SMILES notation for N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine?
The canonical SMILES for N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine is C/C=N/C(C)C1=C(F)CCC=C1.
What is the InChIKey of N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine?
The InChIKey is SEHDGAPOKADZDJ-KGVSQERTSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-12-8(2)9-6-4-5-7-10(9)11/h3-4,6,8H,5,7H2,1-2H3/b12-3+.
What are the key properties of N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine?
N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine has a molecular weight of 167.23 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine is sourced from PubChem (CID 142913457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).