1-[4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine

C10H14F3NO — CID 69087884

IUPAC1-[4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine
SMILESCC(N)C1C=CC(OCC(F)(F)F)=CC1
InChIInChI=1S/C10H14F3NO/c1-7(14)8-2-4-9(5-3-8)15-6-10(11,12)13/h2,4-5,7-8H,3,6,14H2,1H3
InChIKeyARCXXSMXKJYMGC-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.37
Rot. Bonds3

About 1-[4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine

1-[4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine (PubChem CID 69087884) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-[4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine
PubChem CID69087884
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name1-[4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine
SMILESCC(N)C1C=CC(OCC(F)(F)F)=CC1
InChIInChI=1S/C10H14F3NO/c1-7(14)8-2-4-9(5-3-8)15-6-10(11,12)13/h2,4-5,7-8H,3,6,14H2,1H3
InChIKeyARCXXSMXKJYMGC-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine?
The IUPAC name of 1-[4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine (CID 69087884) is 1-[4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine.
What is the SMILES notation for 1-[4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine?
The canonical SMILES for 1-[4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine is CC(N)C1C=CC(OCC(F)(F)F)=CC1.
What is the InChIKey of 1-[4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine?
The InChIKey is ARCXXSMXKJYMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-7(14)8-2-4-9(5-3-8)15-6-10(11,12)13/h2,4-5,7-8H,3,6,14H2,1H3.
What are the key properties of 1-[4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine?
1-[4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine has a molecular weight of 221.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-yl]ethanamine is sourced from PubChem (CID 69087884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).