4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine

C11H14ClF3N2 — CID 23135543

IUPAC4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine
SMILESCN(C)c1cc(N(C)C)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H14ClF3N2/c1-16(2)7-5-8(11(13,14)15)10(12)9(6-7)17(3)4/h5-6H,1-4H3
InChIKeyNRICJLQERAWIQP-UHFFFAOYSA-N
MW266.69 g/mol
LogP3.49
Rot. Bonds2

About 4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine

4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine (PubChem CID 23135543) has the molecular formula C11H14ClF3N2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine
PubChem CID23135543
Molecular FormulaC11H14ClF3N2
Molecular Weight266.69 g/mol
Exact Mass266.08
IUPAC Name4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine
SMILESCN(C)c1cc(N(C)C)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H14ClF3N2/c1-16(2)7-5-8(11(13,14)15)10(12)9(6-7)17(3)4/h5-6H,1-4H3
InChIKeyNRICJLQERAWIQP-UHFFFAOYSA-N
XLogP3.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine?
The IUPAC name of 4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine (CID 23135543) is 4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine.
What is the SMILES notation for 4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine?
The canonical SMILES for 4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine is CN(C)c1cc(N(C)C)c(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine?
The InChIKey is NRICJLQERAWIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2/c1-16(2)7-5-8(11(13,14)15)10(12)9(6-7)17(3)4/h5-6H,1-4H3.
What are the key properties of 4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine?
4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine has a molecular weight of 266.69 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N,1-N,3-N,3-N-tetramethyl-5-(trifluoromethyl)benzene-1,3-diamine is sourced from PubChem (CID 23135543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).