2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline

C13H8F5N — CID 107289637

IUPAC2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
SMILESNc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C13H8F5N/c14-10-3-1-7(5-9(10)13(16,17)18)8-2-4-12(19)11(15)6-8/h1-6H,19H2
InChIKeyTWXBWWPCFOYWHR-UHFFFAOYSA-N
MW273.20 g/mol
LogP4.23
Rot. Bonds1

About 2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline

2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline (PubChem CID 107289637) has the molecular formula C13H8F5N and a molecular weight of 273.20 g/mol. Its IUPAC name is 2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
PubChem CID107289637
Molecular FormulaC13H8F5N
Molecular Weight273.20 g/mol
Exact Mass273.06
IUPAC Name2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
SMILESNc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C13H8F5N/c14-10-3-1-7(5-9(10)13(16,17)18)8-2-4-12(19)11(15)6-8/h1-6H,19H2
InChIKeyTWXBWWPCFOYWHR-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
CID 161352173
4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 125457222
2-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289630
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 25184302
5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline
CID 165458251
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline
CID 107289642
[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methylidenehydrazine
CID 168529818
1-fluoro-4-[4-isocyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 20824744
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 107289625
[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methanol
CID 61228246
ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
CID 169205433

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline (CID 107289637) is 2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline is Nc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1F.
What is the InChIKey of 2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline?
The InChIKey is TWXBWWPCFOYWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5N/c14-10-3-1-7(5-9(10)13(16,17)18)8-2-4-12(19)11(15)6-8/h1-6H,19H2.
What are the key properties of 2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline?
2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline has a molecular weight of 273.20 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 107289637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).