5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C9H12F3N — CID 89073739

IUPAC5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCC1C(N)=CC=C(C(F)(F)F)C1C
InChIInChI=1S/C9H12F3N/c1-5-6(2)8(13)4-3-7(5)9(10,11)12/h3-6H,13H2,1-2H3
InChIKeyLNMPDNRDXCFGSQ-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.60
Rot. Bonds

About 5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 89073739) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID89073739
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCC1C(N)=CC=C(C(F)(F)F)C1C
InChIInChI=1S/C9H12F3N/c1-5-6(2)8(13)4-3-7(5)9(10,11)12/h3-6H,13H2,1-2H3
InChIKeyLNMPDNRDXCFGSQ-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 89073739) is 5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is CC1C(N)=CC=C(C(F)(F)F)C1C.
What is the InChIKey of 5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is LNMPDNRDXCFGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-5-6(2)8(13)4-3-7(5)9(10,11)12/h3-6H,13H2,1-2H3.
What are the key properties of 5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 191.20 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89073739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).