4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline

C14H9F6NO — CID 118805901

IUPAC4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
SMILESNc1ccc(-c2ccccc2OC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C14H9F6NO/c15-13(16,17)10-7-8(5-6-11(10)21)9-3-1-2-4-12(9)22-14(18,19)20/h1-7H,21H2
InChIKeyGNFHWKCRSYASRG-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.85
Rot. Bonds2

About 4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline

4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline (PubChem CID 118805901) has the molecular formula C14H9F6NO and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
PubChem CID118805901
Molecular FormulaC14H9F6NO
Molecular Weight321.22 g/mol
Exact Mass321.06
IUPAC Name4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
SMILESNc1ccc(-c2ccccc2OC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C14H9F6NO/c15-13(16,17)10-7-8(5-6-11(10)21)9-3-1-2-4-12(9)22-14(18,19)20/h1-7H,21H2
InChIKeyGNFHWKCRSYASRG-UHFFFAOYSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline
CID 134624128
5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine
CID 119015031
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 118803810
4-(2-propan-2-ylphenyl)-2-(trifluoromethyl)aniline
CID 175663849
5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid
CID 118831979
2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline
CID 164512500
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
CID 161352173
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 133091706
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline (CID 118805901) is 4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline is Nc1ccc(-c2ccccc2OC(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline?
The InChIKey is GNFHWKCRSYASRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO/c15-13(16,17)10-7-8(5-6-11(10)21)9-3-1-2-4-12(9)22-14(18,19)20/h1-7H,21H2.
What are the key properties of 4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline?
4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline has a molecular weight of 321.22 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 118805901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).