1-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine

C8H11F3N2 — CID 134284100

IUPAC1-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine
SMILESCC1(N)C=C(C(F)(F)F)C=CC1N
InChIInChI=1S/C8H11F3N2/c1-7(13)4-5(8(9,10)11)2-3-6(7)12/h2-4,6H,12-13H2,1H3
InChIKeyAJXLAWKCKJQWET-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.09
Rot. Bonds

About 1-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine

1-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 134284100) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine
PubChem CID134284100
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name1-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine
SMILESCC1(N)C=C(C(F)(F)F)C=CC1N
InChIInChI=1S/C8H11F3N2/c1-7(13)4-5(8(9,10)11)2-3-6(7)12/h2-4,6H,12-13H2,1H3
InChIKeyAJXLAWKCKJQWET-UHFFFAOYSA-N
XLogP1.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

p-Dimethylphenylendiamin
CID 53423794
Orthotoluylendiamin
CID 55283794
2-Fluoro-2-methylaniline
CID 22273309
6-(Trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 23505215
6-Methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 67321718
4,4-Difluoro-3-methylcyclohexa-2,5-diene-1,2-diamine
CID 68636824
3,6-Difluoro-6-methylcyclohexa-2,4-dien-1-amine
CID 69362924
3,4-Dimethyl-4-(trifluoromethyl)cyclohexa-2,5-diene-1,2-diamine
CID 70020320
1-Cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine
CID 89009809
3-(Trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 89018271
2-(Trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 89074017
4-Fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine
CID 89120910

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine (CID 134284100) is 1-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine is CC1(N)C=C(C(F)(F)F)C=CC1N.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is AJXLAWKCKJQWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-7(13)4-5(8(9,10)11)2-3-6(7)12/h2-4,6H,12-13H2,1H3.
What are the key properties of 1-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine?
1-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 192.18 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 134284100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).