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

C8H10F3NO — CID 91017819

IUPAC[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine
SMILESNCC1C=CC(OC(F)(F)F)=CC1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1,3-4,6H,2,5,12H2
InChIKeyKFJXKRWNJKSLGJ-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.94
Rot. Bonds2

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

[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine (PubChem CID 91017819) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is [4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound Name[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine
PubChem CID91017819
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine
SMILESNCC1C=CC(OC(F)(F)F)=CC1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1,3-4,6H,2,5,12H2
InChIKeyKFJXKRWNJKSLGJ-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine
CID 66987389
[4-Methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 67926727
1-[4-(2,2,2-Trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine
CID 69087884
2-Ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine
CID 123377337
[5-Methyl-4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]methanamine
CID 124095544
[(1R)-5-methyl-4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]methanamine
CID 124095789
[(1R)-5-chloro-4-(2,2-difluoroethoxy)cyclohexa-2,4-dien-1-yl]methanamine
CID 124095802
[(1R)-4-[difluoro(iodo)methoxy]-5-fluorocyclohexa-2,4-dien-1-yl]methanamine
CID 124095840
3-(Trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 130322352
[4-Methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 144367367
3-[4-(Trifluoromethoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 147539984
4-(Trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 148279831

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine?
The IUPAC name of [4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine (CID 91017819) is [4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine.
What is the SMILES notation for [4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine?
The canonical SMILES for [4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine is NCC1C=CC(OC(F)(F)F)=CC1.
What is the InChIKey of [4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine?
The InChIKey is KFJXKRWNJKSLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1,3-4,6H,2,5,12H2.
What are the key properties of [4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine?
[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine has a molecular weight of 193.17 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 91017819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).