N-chloro-N-(trifluoromethyl)aniline

C7H5ClF3N — CID 87317257

IUPACN-chloro-N-(trifluoromethyl)aniline
SMILESFC(F)(F)N(Cl)c1ccccc1
InChIInChI=1S/C7H5ClF3N/c8-12(7(9,10)11)6-4-2-1-3-5-6/h1-5H
InChIKeyXVKNPCGIHRUNGP-UHFFFAOYSA-N
MW195.57 g/mol
LogP3.17
Rot. Bonds1

About N-chloro-N-(trifluoromethyl)aniline

N-chloro-N-(trifluoromethyl)aniline (PubChem CID 87317257) has the molecular formula C7H5ClF3N and a molecular weight of 195.57 g/mol. Its IUPAC name is N-chloro-N-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-chloro-N-(trifluoromethyl)aniline
PubChem CID87317257
Molecular FormulaC7H5ClF3N
Molecular Weight195.57 g/mol
Exact Mass195.01
IUPAC NameN-chloro-N-(trifluoromethyl)aniline
SMILESFC(F)(F)N(Cl)c1ccccc1
InChIInChI=1S/C7H5ClF3N/c8-12(7(9,10)11)6-4-2-1-3-5-6/h1-5H
InChIKeyXVKNPCGIHRUNGP-UHFFFAOYSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.57
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethylaniline
CID 949
Phenyltrimethylammonium chloride
CID 67309
N,N-Dimethyl-4-fluoroaniline
CID 136249
Benzenamine, N,N-dimethyl-, hydrochloride (1:1)
CID 79987
Phenyltrimethylammonium
CID 15914
N-methyl-N-(trifluoromethyl)aniline
CID 11171273
N-Ethyl-N-(trifluoromethyl)aniline
CID 13147752
N-(4-Fluorophenyl)cyanamide
CID 585887
1-Fluoro-4-isocyanobenzene
CID 2734801
2,4-difluoro-N-methylaniline
CID 2737023
2,2,2-Trifluoro-N-phenylacetimidoyl Chloride
CID 10058869
3-fluoro-N-methyl-N-(trifluoromethyl)aniline
CID 71646904

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-(trifluoromethyl)aniline?
The IUPAC name of N-chloro-N-(trifluoromethyl)aniline (CID 87317257) is N-chloro-N-(trifluoromethyl)aniline.
What is the SMILES notation for N-chloro-N-(trifluoromethyl)aniline?
The canonical SMILES for N-chloro-N-(trifluoromethyl)aniline is FC(F)(F)N(Cl)c1ccccc1.
What is the InChIKey of N-chloro-N-(trifluoromethyl)aniline?
The InChIKey is XVKNPCGIHRUNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N/c8-12(7(9,10)11)6-4-2-1-3-5-6/h1-5H.
What are the key properties of N-chloro-N-(trifluoromethyl)aniline?
N-chloro-N-(trifluoromethyl)aniline has a molecular weight of 195.57 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-(trifluoromethyl)aniline is sourced from PubChem (CID 87317257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).