4-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

C8H10F3NO — CID 174383033

IUPAC4-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCOC1=CCC(N)(C(F)(F)F)C=C1
InChIInChI=1S/C8H10F3NO/c1-13-6-2-4-7(12,5-3-6)8(9,10)11/h2-4H,5,12H2,1H3
InChIKeyDVDDYQWALJZCIC-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.74
Rot. Bonds1

About 4-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

4-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 174383033) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 4-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
PubChem CID174383033
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name4-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCOC1=CCC(N)(C(F)(F)F)C=C1
InChIInChI=1S/C8H10F3NO/c1-13-6-2-4-7(12,5-3-6)8(9,10)11/h2-4H,5,12H2,1H3
InChIKeyDVDDYQWALJZCIC-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (CID 174383033) is 4-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is COC1=CCC(N)(C(F)(F)F)C=C1.
What is the InChIKey of 4-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is DVDDYQWALJZCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-13-6-2-4-7(12,5-3-6)8(9,10)11/h2-4H,5,12H2,1H3.
What are the key properties of 4-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
4-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 193.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 174383033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).