[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine

C8H10F3NO — CID 162549966

IUPAC[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
SMILESNCC1=C(OC(F)(F)F)C=CCC1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h2,4H,1,3,5,12H2
InChIKeyYTRJVHUGGAOQKM-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.09
Rot. Bonds2

About [2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine

[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine (PubChem CID 162549966) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is [2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound Name[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
PubChem CID162549966
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
SMILESNCC1=C(OC(F)(F)F)C=CCC1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h2,4H,1,3,5,12H2
InChIKeyYTRJVHUGGAOQKM-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
The IUPAC name of [2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine (CID 162549966) is [2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine.
What is the SMILES notation for [2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
The canonical SMILES for [2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine is NCC1=C(OC(F)(F)F)C=CCC1.
What is the InChIKey of [2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
The InChIKey is YTRJVHUGGAOQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h2,4H,1,3,5,12H2.
What are the key properties of [2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
[2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine has a molecular weight of 193.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 162549966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).