2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine

C9H15F3N2 — CID 140862768

IUPAC2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
SMILESCN(C)C1CC(C(F)(F)F)=CCC1N
InChIInChI=1S/C9H15F3N2/c1-14(2)8-5-6(9(10,11)12)3-4-7(8)13/h3,7-8H,4-5,13H2,1-2H3
InChIKeyBUOOTIQFZFHNNY-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.53
Rot. Bonds1

About 2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine

2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine (PubChem CID 140862768) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
PubChem CID140862768
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
SMILESCN(C)C1CC(C(F)(F)F)=CCC1N
InChIInChI=1S/C9H15F3N2/c1-14(2)8-5-6(9(10,11)12)3-4-7(8)13/h3,7-8H,4-5,13H2,1-2H3
InChIKeyBUOOTIQFZFHNNY-UHFFFAOYSA-N
XLogP1.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89073810
(1S,2S)-1-N-tert-butyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429382
(1R,2R)-2-N-tert-butyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429404
(1S,2S)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429440
(1S,2S)-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134438056
(1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134438486
(1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134459118
N,N-dimethyl-4-(trifluoromethyl)cyclohex-3-en-1-amine
CID 134459213
N-methyl-N-[3-(trifluoromethyl)cyclohex-3-en-1-yl]azetidin-3-amine
CID 134459450
N-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine
CID 142330113
2-N-methyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 144081422
(1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 146526665

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine (CID 140862768) is 2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine is CN(C)C1CC(C(F)(F)F)=CCC1N.
What is the InChIKey of 2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine?
The InChIKey is BUOOTIQFZFHNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-14(2)8-5-6(9(10,11)12)3-4-7(8)13/h3,7-8H,4-5,13H2,1-2H3.
What are the key properties of 2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine?
2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine has a molecular weight of 208.23 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine is sourced from PubChem (CID 140862768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).