4,5,6-trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine

C8H10F3N — CID 88652889

IUPAC4,5,6-trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC1=C(N)C(F)C(C)(F)C(F)=C1
InChIInChI=1S/C8H10F3N/c1-4-3-5(9)8(2,11)7(10)6(4)12/h3,7H,12H2,1-2H3
InChIKeyRVEOSDAHHWCCMR-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.15
Rot. Bonds

About 4,5,6-trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine

4,5,6-trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 88652889) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 4,5,6-trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4,5,6-trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID88652889
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name4,5,6-trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC1=C(N)C(F)C(C)(F)C(F)=C1
InChIInChI=1S/C8H10F3N/c1-4-3-5(9)8(2,11)7(10)6(4)12/h3,7H,12H2,1-2H3
InChIKeyRVEOSDAHHWCCMR-UHFFFAOYSA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4,5,6-trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine (CID 88652889) is 4,5,6-trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4,5,6-trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4,5,6-trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine is CC1=C(N)C(F)C(C)(F)C(F)=C1.
What is the InChIKey of 4,5,6-trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is RVEOSDAHHWCCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-4-3-5(9)8(2,11)7(10)6(4)12/h3,7H,12H2,1-2H3.
What are the key properties of 4,5,6-trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine?
4,5,6-trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 177.17 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trifluoro-2,5-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 88652889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).