1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine

C11H16F3NO — CID 173192989

IUPAC1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine
SMILESCOC1=C(CN(C)C)C=C(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO/c1-15(2)7-8-6-9(11(12,13)14)4-5-10(8)16-3/h6H,4-5,7H2,1-3H3
InChIKeyMWUSWCVFKBONOR-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.73
Rot. Bonds3

About 1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine

1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine (PubChem CID 173192989) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine
PubChem CID173192989
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine
SMILESCOC1=C(CN(C)C)C=C(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO/c1-15(2)7-8-6-9(11(12,13)14)4-5-10(8)16-3/h6H,4-5,7H2,1-3H3
InChIKeyMWUSWCVFKBONOR-UHFFFAOYSA-N
XLogP2.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine (CID 173192989) is 1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine is COC1=C(CN(C)C)C=C(C(F)(F)F)CC1.
What is the InChIKey of 1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine?
The InChIKey is MWUSWCVFKBONOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-15(2)7-8-6-9(11(12,13)14)4-5-10(8)16-3/h6H,4-5,7H2,1-3H3.
What are the key properties of 1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine?
1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine has a molecular weight of 235.25 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 173192989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).