2-cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine

C12H14FNO — CID 59660255

IUPAC2-cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine
SMILESNC1=C(OC2=CC=CCC2)CCC(F)=C1
InChIInChI=1S/C12H14FNO/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-2,4,8H,3,5-7,14H2
InChIKeyZBJGGEUBWFMXMN-UHFFFAOYSA-N
MW207.25 g/mol
LogP3.05
Rot. Bonds2

About 2-cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine

2-cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine (PubChem CID 59660255) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine
PubChem CID59660255
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name2-cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine
SMILESNC1=C(OC2=CC=CCC2)CCC(F)=C1
InChIInChI=1S/C12H14FNO/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-2,4,8H,3,5-7,14H2
InChIKeyZBJGGEUBWFMXMN-UHFFFAOYSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine (CID 59660255) is 2-cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine is NC1=C(OC2=CC=CCC2)CCC(F)=C1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine?
The InChIKey is ZBJGGEUBWFMXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-2,4,8H,3,5-7,14H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine?
2-cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine has a molecular weight of 207.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yloxy-5-fluorocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 59660255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).