6-(2,2,2-trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

C9H9F6NO — CID 150124657

IUPAC6-(2,2,2-trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESNC1(C(F)(F)F)C=CC=CC1OCC(F)(F)F
InChIInChI=1S/C9H9F6NO/c10-8(11,12)5-17-6-3-1-2-4-7(6,16)9(13,14)15/h1-4,6H,5,16H2
InChIKeyDZYUNEPBEQNOCD-UHFFFAOYSA-N
MW261.17 g/mol
LogP2.32
Rot. Bonds2

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

6-(2,2,2-trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 150124657) has the molecular formula C9H9F6NO and a molecular weight of 261.17 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
PubChem CID150124657
Molecular FormulaC9H9F6NO
Molecular Weight261.17 g/mol
Exact Mass261.06
IUPAC Name6-(2,2,2-trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESNC1(C(F)(F)F)C=CC=CC1OCC(F)(F)F
InChIInChI=1S/C9H9F6NO/c10-8(11,12)5-17-6-3-1-2-4-7(6,16)9(13,14)15/h1-4,6H,5,16H2
InChIKeyDZYUNEPBEQNOCD-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine
CID 70201761
1-Fluoro-6-methoxy-3-methylcyclohexa-2,4-dien-1-amine
CID 139410833
6-Methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 154356628
1,3-Difluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-amine
CID 163387766
4-(2,2,3,3-Tetrafluoropropoxy)cyclohexa-1,5-dien-1-amine
CID 164016935
6-(2,2,2-Trifluoroethoxy)cyclohexa-2,4-dien-1-amine
CID 166661463
6-(1,2,2,3,3,3-Hexafluoropropoxy)cyclohexa-2,4-diene-1,1-diamine
CID 175490050
(1S)-6-(difluoromethoxy)-1-ethylcyclohexa-2,4-dien-1-amine
CID 175077831
6-Methoxy-1-methylcyclohexa-2,4-dien-1-amine
CID 69324295
6-Methoxy-1,3-dimethylcyclohexa-2,4-dien-1-amine
CID 173435112
6-(6-Amino-6-methylcyclohexa-2,4-dien-1-yl)oxy-1-methylcyclohexa-2,4-dien-1-amine
CID 174784237

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (CID 150124657) is 6-(2,2,2-trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is NC1(C(F)(F)F)C=CC=CC1OCC(F)(F)F.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is DZYUNEPBEQNOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6NO/c10-8(11,12)5-17-6-3-1-2-4-7(6,16)9(13,14)15/h1-4,6H,5,16H2.
What are the key properties of 6-(2,2,2-trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
6-(2,2,2-trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 261.17 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxy)-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 150124657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).