3-chloro-N,N-dimethyl-4-(trifluoromethyl)aniline

C9H9ClF3N — CID 23135566

IUPAC3-chloro-N,N-dimethyl-4-(trifluoromethyl)aniline
SMILESCN(C)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C9H9ClF3N/c1-14(2)6-3-4-7(8(10)5-6)9(11,12)13/h3-5H,1-2H3
InChIKeyQLWNSCJVEBWBTK-UHFFFAOYSA-N
MW223.63 g/mol
LogP3.42
Rot. Bonds1

About 3-chloro-N,N-dimethyl-4-(trifluoromethyl)aniline

3-chloro-N,N-dimethyl-4-(trifluoromethyl)aniline (PubChem CID 23135566) has the molecular formula C9H9ClF3N and a molecular weight of 223.63 g/mol. Its IUPAC name is 3-chloro-N,N-dimethyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-chloro-N,N-dimethyl-4-(trifluoromethyl)aniline
PubChem CID23135566
Molecular FormulaC9H9ClF3N
Molecular Weight223.63 g/mol
Exact Mass223.04
IUPAC Name3-chloro-N,N-dimethyl-4-(trifluoromethyl)aniline
SMILESCN(C)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C9H9ClF3N/c1-14(2)6-3-4-7(8(10)5-6)9(11,12)13/h3-5H,1-2H3
InChIKeyQLWNSCJVEBWBTK-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethyl-4-(trifluoromethyl)aniline?
The IUPAC name of 3-chloro-N,N-dimethyl-4-(trifluoromethyl)aniline (CID 23135566) is 3-chloro-N,N-dimethyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 3-chloro-N,N-dimethyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 3-chloro-N,N-dimethyl-4-(trifluoromethyl)aniline is CN(C)c1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-N,N-dimethyl-4-(trifluoromethyl)aniline?
The InChIKey is QLWNSCJVEBWBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N/c1-14(2)6-3-4-7(8(10)5-6)9(11,12)13/h3-5H,1-2H3.
What are the key properties of 3-chloro-N,N-dimethyl-4-(trifluoromethyl)aniline?
3-chloro-N,N-dimethyl-4-(trifluoromethyl)aniline has a molecular weight of 223.63 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 23135566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).