N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine

C9H13F3N2 — CID 143834921

IUPACN'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine
SMILESNCCNC1=CCCC(C(F)(F)F)=C1
InChIInChI=1S/C9H13F3N2/c10-9(11,12)7-2-1-3-8(6-7)14-5-4-13/h3,6,14H,1-2,4-5,13H2
InChIKeyGCBZMJRFEKJDMI-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.70
Rot. Bonds3

About N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine

N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine (PubChem CID 143834921) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine
PubChem CID143834921
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC NameN'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine
SMILESNCCNC1=CCCC(C(F)(F)F)=C1
InChIInChI=1S/C9H13F3N2/c10-9(11,12)7-2-1-3-8(6-7)14-5-4-13/h3,6,14H,1-2,4-5,13H2
InChIKeyGCBZMJRFEKJDMI-UHFFFAOYSA-N
XLogP1.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine (CID 143834921) is N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine is NCCNC1=CCCC(C(F)(F)F)=C1.
What is the InChIKey of N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine?
The InChIKey is GCBZMJRFEKJDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c10-9(11,12)7-2-1-3-8(6-7)14-5-4-13/h3,6,14H,1-2,4-5,13H2.
What are the key properties of N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine?
N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine has a molecular weight of 206.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethane-1,2-diamine is sourced from PubChem (CID 143834921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).