4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline

C13H9F4NO — CID 112694313

IUPAC4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
SMILESNc1ccc(F)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C13H9F4NO/c14-12-6-3-9(18)7-11(12)8-1-4-10(5-2-8)19-13(15,16)17/h1-7H,18H2
InChIKeyRYPFTCGZIVQBTA-UHFFFAOYSA-N
MW271.21 g/mol
LogP3.97
Rot. Bonds2

About 4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline

4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline (PubChem CID 112694313) has the molecular formula C13H9F4NO and a molecular weight of 271.21 g/mol. Its IUPAC name is 4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
PubChem CID112694313
Molecular FormulaC13H9F4NO
Molecular Weight271.21 g/mol
Exact Mass271.06
IUPAC Name4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
SMILESNc1ccc(F)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C13H9F4NO/c14-12-6-3-9(18)7-11(12)8-1-4-10(5-2-8)19-13(15,16)17/h1-7H,18H2
InChIKeyRYPFTCGZIVQBTA-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 53.97
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

3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912465
4-fluoro-3-(4-phenoxyphenyl)aniline
CID 104781257
4-pyrrolidin-1-yl-3-[4-(trifluoromethoxy)phenyl]aniline
CID 58008274
1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride
CID 168665296
3-(3,4-difluorophenyl)-4-fluoroaniline
CID 104781175
4-fluoro-3-[2-(trifluoromethoxy)phenyl]aniline
CID 112694311
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline
CID 104781273
2-(3,4-difluorophenyl)-4-(trifluoromethoxy)aniline
CID 172676543
2-(4-fluorophenyl)-5-(trifluoromethoxy)aniline
CID 146015322
4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol
CID 134630076

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline (CID 112694313) is 4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline is Nc1ccc(F)c(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline?
The InChIKey is RYPFTCGZIVQBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO/c14-12-6-3-9(18)7-11(12)8-1-4-10(5-2-8)19-13(15,16)17/h1-7H,18H2.
What are the key properties of 4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline?
4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline has a molecular weight of 271.21 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 112694313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).