N-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline

C13H8ClF4NO — CID 88524723

IUPACN-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline
SMILESFc1cc(C(F)(F)F)cc(Cl)c1ONc1ccccc1
InChIInChI=1S/C13H8ClF4NO/c14-10-6-8(13(16,17)18)7-11(15)12(10)20-19-9-4-2-1-3-5-9/h1-7,19H
InChIKeyPUBFDKHRSRMZJJ-UHFFFAOYSA-N
MW305.66 g/mol
LogP4.90
Rot. Bonds3

About N-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline

N-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline (PubChem CID 88524723) has the molecular formula C13H8ClF4NO and a molecular weight of 305.66 g/mol. Its IUPAC name is N-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline.

Molecular Properties

Compound NameN-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline
PubChem CID88524723
Molecular FormulaC13H8ClF4NO
Molecular Weight305.66 g/mol
Exact Mass305.02
IUPAC NameN-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline
SMILESFc1cc(C(F)(F)F)cc(Cl)c1ONc1ccccc1
InChIInChI=1S/C13H8ClF4NO/c14-10-6-8(13(16,17)18)7-11(15)12(10)20-19-9-4-2-1-3-5-9/h1-7,19H
InChIKeyPUBFDKHRSRMZJJ-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.66
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene
CID 90892102
N-[3,5-bis(trifluoromethyl)phenoxy]aniline
CID 158887487
3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol
CID 14878507
5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol
CID 139615369
(2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 67881161
3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-methyl-2-phenoxypropanamide
CID 70568807
1,2,3-trichloro-5-(trifluoromethyl)benzene;1,2,3-trifluoro-5-(trifluoromethyl)benzene
CID 157268578
1,7-dichloro-3-(trifluoromethyl)naphthalene
CID 90487867
1-chloro-2-(3,4-dinitrophenoxy)-3-fluoro-5-(trifluoromethyl)benzene
CID 15278945
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]phenol
CID 15278947
6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
CID 19086708
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
CID 155154021

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline?
The IUPAC name of N-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline (CID 88524723) is N-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline.
What is the SMILES notation for N-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline?
The canonical SMILES for N-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline is Fc1cc(C(F)(F)F)cc(Cl)c1ONc1ccccc1.
What is the InChIKey of N-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline?
The InChIKey is PUBFDKHRSRMZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4NO/c14-10-6-8(13(16,17)18)7-11(15)12(10)20-19-9-4-2-1-3-5-9/h1-7,19H.
What are the key properties of N-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline?
N-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline has a molecular weight of 305.66 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]aniline is sourced from PubChem (CID 88524723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).