N,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine

C9H12F3NO — CID 173180346

IUPACN,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
SMILESCN(C)C1=CCCC=C1OC(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-13(2)7-5-3-4-6-8(7)14-9(10,11)12/h5-6H,3-4H2,1-2H3
InChIKeyLVSHTXRINLVLEM-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.65
Rot. Bonds2

About N,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine

N,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine (PubChem CID 173180346) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is N,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
PubChem CID173180346
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC NameN,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
SMILESCN(C)C1=CCCC=C1OC(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-13(2)7-5-3-4-6-8(7)14-9(10,11)12/h5-6H,3-4H2,1-2H3
InChIKeyLVSHTXRINLVLEM-UHFFFAOYSA-N
XLogP2.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine?
The IUPAC name of N,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine (CID 173180346) is N,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine is CN(C)C1=CCCC=C1OC(F)(F)F.
What is the InChIKey of N,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine?
The InChIKey is LVSHTXRINLVLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-13(2)7-5-3-4-6-8(7)14-9(10,11)12/h5-6H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine?
N,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine has a molecular weight of 207.19 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 173180346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).