2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine

C9H14FN — CID 89035224

IUPAC2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
SMILESCNCCC1=C(F)CCC=C1
InChIInChI=1S/C9H14FN/c1-11-7-6-8-4-2-3-5-9(8)10/h2,4,11H,3,5-7H2,1H3
InChIKeyAHQJJKGOOHZDHR-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.17
Rot. Bonds3

About 2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine

2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine (PubChem CID 89035224) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
PubChem CID89035224
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
SMILESCNCCC1=C(F)CCC=C1
InChIInChI=1S/C9H14FN/c1-11-7-6-8-4-2-3-5-9(8)10/h2,4,11H,3,5-7H2,1H3
InChIKeyAHQJJKGOOHZDHR-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine?
The IUPAC name of 2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine (CID 89035224) is 2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine is CNCCC1=C(F)CCC=C1.
What is the InChIKey of 2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine?
The InChIKey is AHQJJKGOOHZDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-11-7-6-8-4-2-3-5-9(8)10/h2,4,11H,3,5-7H2,1H3.
What are the key properties of 2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine?
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine has a molecular weight of 155.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine is sourced from PubChem (CID 89035224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).