[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine

C8H10F3NO — CID 66987389

IUPAC[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine
SMILESNCC1(OC(F)(F)F)C=CC=CC1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)13-7(6-12)4-2-1-3-5-7/h1-4H,5-6,12H2
InChIKeySLUAGCURWHSCOF-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.74
Rot. Bonds2

About [1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine

[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine (PubChem CID 66987389) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is [1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound Name[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine
PubChem CID66987389
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine
SMILESNCC1(OC(F)(F)F)C=CC=CC1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)13-7(6-12)4-2-1-3-5-7/h1-4H,5-6,12H2
InChIKeySLUAGCURWHSCOF-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 [1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine?
The IUPAC name of [1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine (CID 66987389) is [1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine.
What is the SMILES notation for [1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine?
The canonical SMILES for [1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine is NCC1(OC(F)(F)F)C=CC=CC1.
What is the InChIKey of [1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine?
The InChIKey is SLUAGCURWHSCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)13-7(6-12)4-2-1-3-5-7/h1-4H,5-6,12H2.
What are the key properties of [1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine?
[1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine has a molecular weight of 193.17 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 66987389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).