N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine

C11H17F3N2 — CID 143303397

IUPACN,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine
SMILESCNCCN(C)C1=CC(C(F)(F)F)=CCC1
InChIInChI=1S/C11H17F3N2/c1-15-6-7-16(2)10-5-3-4-9(8-10)11(12,13)14/h4,8,15H,3,5-7H2,1-2H3
InChIKeyDDCWLIULXWYNMK-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.30
Rot. Bonds4

About N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine

N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine (PubChem CID 143303397) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine
PubChem CID143303397
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC NameN,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine
SMILESCNCCN(C)C1=CC(C(F)(F)F)=CCC1
InChIInChI=1S/C11H17F3N2/c1-15-6-7-16(2)10-5-3-4-9(8-10)11(12,13)14/h4,8,15H,3,5-7H2,1-2H3
InChIKeyDDCWLIULXWYNMK-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine (CID 143303397) is N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine is CNCCN(C)C1=CC(C(F)(F)F)=CCC1.
What is the InChIKey of N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine?
The InChIKey is DDCWLIULXWYNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-15-6-7-16(2)10-5-3-4-9(8-10)11(12,13)14/h4,8,15H,3,5-7H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine has a molecular weight of 234.26 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine is sourced from PubChem (CID 143303397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).