2,3-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C9H12F3N — CID 89215087

IUPAC2,3-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCC1=C(N)CCC(C(F)(F)F)=C1C
InChIInChI=1S/C9H12F3N/c1-5-6(2)8(13)4-3-7(5)9(10,11)12/h3-4,13H2,1-2H3
InChIKeyNFUYJBNMKALBNL-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.89
Rot. Bonds

About 2,3-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

2,3-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 89215087) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 2,3-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID89215087
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name2,3-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCC1=C(N)CCC(C(F)(F)F)=C1C
InChIInChI=1S/C9H12F3N/c1-5-6(2)8(13)4-3-7(5)9(10,11)12/h3-4,13H2,1-2H3
InChIKeyNFUYJBNMKALBNL-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 2,3-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 89215087) is 2,3-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2,3-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2,3-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is CC1=C(N)CCC(C(F)(F)F)=C1C.
What is the InChIKey of 2,3-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is NFUYJBNMKALBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-5-6(2)8(13)4-3-7(5)9(10,11)12/h3-4,13H2,1-2H3.
What are the key properties of 2,3-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
2,3-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 191.20 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89215087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).