1-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine

C10H14FN — CID 118534647

IUPAC1-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine
SMILESC=C(N)C1=C(F)CCC(C)=C1C
InChIInChI=1S/C10H14FN/c1-6-4-5-9(11)10(7(6)2)8(3)12/h3-5,12H2,1-2H3
InChIKeyRERQWDFLKQFNAD-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.81
Rot. Bonds1

About 1-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine

1-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine (PubChem CID 118534647) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine.

Molecular Properties

Compound Name1-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine
PubChem CID118534647
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name1-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine
SMILESC=C(N)C1=C(F)CCC(C)=C1C
InChIInChI=1S/C10H14FN/c1-6-4-5-9(11)10(7(6)2)8(3)12/h3-5,12H2,1-2H3
InChIKeyRERQWDFLKQFNAD-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine?
The IUPAC name of 1-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine (CID 118534647) is 1-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine.
What is the SMILES notation for 1-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine?
The canonical SMILES for 1-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine is C=C(N)C1=C(F)CCC(C)=C1C.
What is the InChIKey of 1-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine?
The InChIKey is RERQWDFLKQFNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-6-4-5-9(11)10(7(6)2)8(3)12/h3-5,12H2,1-2H3.
What are the key properties of 1-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine?
1-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine has a molecular weight of 167.23 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)ethenamine is sourced from PubChem (CID 118534647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).