3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline

C15H13ClF3N — CID 162537631

IUPAC3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C15H13ClF3N/c1-20(2)12-5-3-4-10(8-12)13-9-11(15(17,18)19)6-7-14(13)16/h3-9H,1-2H3
InChIKeyMFKALHRSXDRIKJ-UHFFFAOYSA-N
MW299.72 g/mol
LogP5.09
Rot. Bonds2

About 3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline

3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline (PubChem CID 162537631) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline
PubChem CID162537631
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C15H13ClF3N/c1-20(2)12-5-3-4-10(8-12)13-9-11(15(17,18)19)6-7-14(13)16/h3-9H,1-2H3
InChIKeyMFKALHRSXDRIKJ-UHFFFAOYSA-N
XLogP5.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.72
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene
CID 91233147
1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
CID 162568601
3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline
CID 82541933
4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 173139448
N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline
CID 118830034
1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 118999324
3-(2-fluorophenyl)-N,N-dimethylaniline
CID 173224461
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
3-(2-tert-butylphenyl)-N,N-dimethylaniline
CID 170187811
1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 170835758

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline (CID 162537631) is 3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline is CN(C)c1cccc(-c2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline?
The InChIKey is MFKALHRSXDRIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-20(2)12-5-3-4-10(8-12)13-9-11(15(17,18)19)6-7-14(13)16/h3-9H,1-2H3.
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline?
3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline has a molecular weight of 299.72 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline is sourced from PubChem (CID 162537631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).