2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline

C14H9F6NO — CID 134624128

IUPAC2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline
SMILESNc1cc(-c2ccccc2C(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C14H9F6NO/c15-13(16,17)10-4-2-1-3-9(10)8-5-6-12(11(21)7-8)22-14(18,19)20/h1-7H,21H2
InChIKeyBGHQVZPLGBGTIX-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.85
Rot. Bonds2

About 2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline

2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline (PubChem CID 134624128) has the molecular formula C14H9F6NO and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline
PubChem CID134624128
Molecular FormulaC14H9F6NO
Molecular Weight321.22 g/mol
Exact Mass321.06
IUPAC Name2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline
SMILESNc1cc(-c2ccccc2C(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C14H9F6NO/c15-13(16,17)10-4-2-1-3-9(10)8-5-6-12(11(21)7-8)22-14(18,19)20/h1-7H,21H2
InChIKeyBGHQVZPLGBGTIX-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-iodo-1-(trifluoromethoxy)-4-[2-(trifluoromethyl)phenyl]benzene
CID 172676650
4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 50994110
4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 118805901
2-propan-2-yloxy-5-[2-(trifluoromethoxy)phenyl]aniline
CID 164512500
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 134624057
2-amino-5-[2-(trifluoromethyl)phenyl]benzonitrile
CID 118839696
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
3-amino-1-methyl-5-[2-(trifluoromethyl)phenyl]pyridin-2-one
CID 117222134
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
2-(trifluoromethoxy)aniline;dihydrochloride
CID 69022411

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline (CID 134624128) is 2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline is Nc1cc(-c2ccccc2C(F)(F)F)ccc1OC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline?
The InChIKey is BGHQVZPLGBGTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO/c15-13(16,17)10-4-2-1-3-9(10)8-5-6-12(11(21)7-8)22-14(18,19)20/h1-7H,21H2.
What are the key properties of 2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline?
2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]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 2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 134624128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).