2,3-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine

C9H13F3N2 — CID 69318590

IUPAC2,3-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
SMILESCC1=C(N)C=CC(N)C1(C)C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-5-6(13)3-4-7(14)8(5,2)9(10,11)12/h3-4,7H,13-14H2,1-2H3
InChIKeyAJSKGJJENPFCSL-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.68
Rot. Bonds

About 2,3-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine

2,3-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine (PubChem CID 69318590) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2,3-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name2,3-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
PubChem CID69318590
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name2,3-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
SMILESCC1=C(N)C=CC(N)C1(C)C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-5-6(13)3-4-7(14)8(5,2)9(10,11)12/h3-4,7H,13-14H2,1-2H3
InChIKeyAJSKGJJENPFCSL-UHFFFAOYSA-N
XLogP1.68
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Tert-butyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 66629992
6-Ethyl-6-fluorocyclohexa-2,4-diene-1,2-diamine
CID 66866424
6-Methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 67321718
(1R)-1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 68097553
3,4-Dimethyl-4-(trifluoromethyl)cyclohexa-2,5-diene-1,2-diamine
CID 70020320
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 77408480
6-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-6-methylcyclohexa-2,4-dien-1-amine
CID 87233881
2,3-Diethyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 90030982
1-(2,2-Difluoroethyl)cyclohexa-3,5-diene-1,2-diamine
CID 118338645
(3E,5Z)-3-ethenyl-10,10,10-trifluoro-5-methyldeca-3,5-diene-2,6-diamine
CID 124095521
1-[2-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 135190509
1-(2,2,2-Trifluoroethyl)cyclohexa-3,5-diene-1,2-diamine
CID 142795101

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 2,3-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine (CID 69318590) is 2,3-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 2,3-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 2,3-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine is CC1=C(N)C=CC(N)C1(C)C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is AJSKGJJENPFCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-5-6(13)3-4-7(14)8(5,2)9(10,11)12/h3-4,7H,13-14H2,1-2H3.
What are the key properties of 2,3-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
2,3-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 206.21 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 69318590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).