[6-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine

C9H12F3NO — CID 162582684

IUPAC[6-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
SMILESCC1CC(OC(F)(F)F)=CC=C1CN
InChIInChI=1S/C9H12F3NO/c1-6-4-8(14-9(10,11)12)3-2-7(6)5-13/h2-3,6H,4-5,13H2,1H3
InChIKeyLIWRYYIUBSVJJL-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.33
Rot. Bonds2

About [6-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine

[6-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine (PubChem CID 162582684) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is [6-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
PubChem CID162582684
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name[6-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
SMILESCC1CC(OC(F)(F)F)=CC=C1CN
InChIInChI=1S/C9H12F3NO/c1-6-4-8(14-9(10,11)12)3-2-7(6)5-13/h2-3,6H,4-5,13H2,1H3
InChIKeyLIWRYYIUBSVJJL-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
The IUPAC name of [6-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine (CID 162582684) is [6-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine.
What is the SMILES notation for [6-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
The canonical SMILES for [6-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine is CC1CC(OC(F)(F)F)=CC=C1CN.
What is the InChIKey of [6-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
The InChIKey is LIWRYYIUBSVJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-6-4-8(14-9(10,11)12)3-2-7(6)5-13/h2-3,6H,4-5,13H2,1H3.
What are the key properties of [6-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
[6-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine has a molecular weight of 207.19 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 162582684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).