N,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C9H12F3N — CID 144521578

IUPACN,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCN(C)C1=CC(C(F)(F)F)=CCC1
InChIInChI=1S/C9H12F3N/c1-13(2)8-5-3-4-7(6-8)9(10,11)12/h4,6H,3,5H2,1-2H3
InChIKeyUQBZMEOWUFKAQF-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.71
Rot. Bonds1

About N,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

N,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 144521578) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is N,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID144521578
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC NameN,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCN(C)C1=CC(C(F)(F)F)=CCC1
InChIInChI=1S/C9H12F3N/c1-13(2)8-5-3-4-7(6-8)9(10,11)12/h4,6H,3,5H2,1-2H3
InChIKeyUQBZMEOWUFKAQF-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 144521578) is N,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is CN(C)C1=CC(C(F)(F)F)=CCC1.
What is the InChIKey of N,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is UQBZMEOWUFKAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-13(2)8-5-3-4-7(6-8)9(10,11)12/h4,6H,3,5H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
N,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 191.20 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 144521578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).