6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine

C7H8F3NO — CID 123991293

IUPAC6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=CC1OC(F)(F)F
InChIInChI=1S/C7H8F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-6H,11H2
InChIKeyNHJZKACDBGCKSS-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.34
Rot. Bonds1

About 6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine

6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine (PubChem CID 123991293) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
PubChem CID123991293
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=CC1OC(F)(F)F
InChIInChI=1S/C7H8F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-6H,11H2
InChIKeyNHJZKACDBGCKSS-UHFFFAOYSA-N
XLogP1.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,2,2-Trifluoroethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 68097267
6-Methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 69301389
6-Methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine
CID 70201761
1-[4-(1,1,2,2-Tetrafluoroethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 87688747
6-Fluoro-6-methoxycyclohexa-2,4-dien-1-amine
CID 118514849
N-methyl-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 124032128
1-[(4R)-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 124095634
3-(Trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 130322352
2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine
CID 143080518
4-Fluoro-6-pentan-2-yloxycyclohexa-2,4-dien-1-amine
CID 148191835
4-(Trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 148279831
1,3-Difluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-amine
CID 163387766

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine (CID 123991293) is 6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine is NC1C=CC=CC1OC(F)(F)F.
What is the InChIKey of 6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
The InChIKey is NHJZKACDBGCKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-6H,11H2.
What are the key properties of 6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine?
6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine has a molecular weight of 179.14 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123991293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).