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

C9H13F3N2 — CID 162562028

IUPAC2-N,1-dimethyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1,2-diamine
SMILESCNC1=CC=C(C(F)(F)F)CC1(C)N
InChIInChI=1S/C9H13F3N2/c1-8(13)5-6(9(10,11)12)3-4-7(8)14-2/h3-4,14H,5,13H2,1-2H3
InChIKeyPQOXUMXYVQCPEG-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.70
Rot. Bonds1

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

2-N,1-dimethyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1,2-diamine (PubChem CID 162562028) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-N,1-dimethyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1,2-diamine.

Molecular Properties

Compound Name2-N,1-dimethyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1,2-diamine
PubChem CID162562028
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name2-N,1-dimethyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1,2-diamine
SMILESCNC1=CC=C(C(F)(F)F)CC1(C)N
InChIInChI=1S/C9H13F3N2/c1-8(13)5-6(9(10,11)12)3-4-7(8)14-2/h3-4,14H,5,13H2,1-2H3
InChIKeyPQOXUMXYVQCPEG-UHFFFAOYSA-N
XLogP1.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,1-dimethyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1,2-diamine?
The IUPAC name of 2-N,1-dimethyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1,2-diamine (CID 162562028) is 2-N,1-dimethyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1,2-diamine.
What is the SMILES notation for 2-N,1-dimethyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1,2-diamine?
The canonical SMILES for 2-N,1-dimethyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1,2-diamine is CNC1=CC=C(C(F)(F)F)CC1(C)N.
What is the InChIKey of 2-N,1-dimethyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1,2-diamine?
The InChIKey is PQOXUMXYVQCPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-8(13)5-6(9(10,11)12)3-4-7(8)14-2/h3-4,14H,5,13H2,1-2H3.
What are the key properties of 2-N,1-dimethyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1,2-diamine?
2-N,1-dimethyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1,2-diamine has a molecular weight of 206.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,1-dimethyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1,2-diamine is sourced from PubChem (CID 162562028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).