2-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine

C7H8F3NO — CID 176682684

IUPAC2-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
SMILESNC1=C(OC(F)(F)F)CCC=C1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1,3H,2,4,11H2
InChIKeyIFLMVNMHXAYYQW-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.04
Rot. Bonds1

About 2-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine

2-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine (PubChem CID 176682684) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 2-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
PubChem CID176682684
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name2-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
SMILESNC1=C(OC(F)(F)F)CCC=C1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1,3H,2,4,11H2
InChIKeyIFLMVNMHXAYYQW-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine (CID 176682684) is 2-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine is NC1=C(OC(F)(F)F)CCC=C1.
What is the InChIKey of 2-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine?
The InChIKey is IFLMVNMHXAYYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1,3H,2,4,11H2.
What are the key properties of 2-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine?
2-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine has a molecular weight of 179.14 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 176682684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).