2-fluoro-3-(trifluoromethoxy)aniline

C7H5F4NO — CID 25210503

IUPAC2-fluoro-3-(trifluoromethoxy)aniline
SMILESNc1cccc(OC(F)(F)F)c1F
InChIInChI=1S/C7H5F4NO/c8-6-4(12)2-1-3-5(6)13-7(9,10)11/h1-3H,12H2
InChIKeyLSRVHFQASBQSGA-UHFFFAOYSA-N
MW195.12 g/mol
LogP2.31
Rot. Bonds1

About 2-fluoro-3-(trifluoromethoxy)aniline

2-fluoro-3-(trifluoromethoxy)aniline (PubChem CID 25210503) has the molecular formula C7H5F4NO and a molecular weight of 195.12 g/mol. Its IUPAC name is 2-fluoro-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-fluoro-3-(trifluoromethoxy)aniline
PubChem CID25210503
Molecular FormulaC7H5F4NO
Molecular Weight195.12 g/mol
Exact Mass195.03
IUPAC Name2-fluoro-3-(trifluoromethoxy)aniline
SMILESNc1cccc(OC(F)(F)F)c1F
InChIInChI=1S/C7H5F4NO/c8-6-4(12)2-1-3-5(6)13-7(9,10)11/h1-3H,12H2
InChIKeyLSRVHFQASBQSGA-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.12
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-3-(trifluoromethoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(trifluoromethoxy)aniline;dihydrochloride
CID 69022411
2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene
CID 118333609
1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene
CID 118334273
2-amino-6-(trifluoromethoxy)benzamide
CID 119018163
2-amino-6-(trifluoromethoxy)benzoic acid
CID 11096155
2-fluoro-3-(trifluoromethoxy)benzoyl fluoride
CID 88701433
3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)aniline
CID 131369969
3-(aminomethyl)-2-fluoro-6-(trifluoromethoxy)aniline
CID 134624109
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108
5-(trifluoromethoxy)quinolin-2-amine
CID 125425664
1,8-bis(trifluoromethoxy)naphthalene
CID 118813409
2-fluoro-6-(trifluoromethoxy)phenol
CID 68960936

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(trifluoromethoxy)aniline?
The IUPAC name of 2-fluoro-3-(trifluoromethoxy)aniline (CID 25210503) is 2-fluoro-3-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-fluoro-3-(trifluoromethoxy)aniline?
The canonical SMILES for 2-fluoro-3-(trifluoromethoxy)aniline is Nc1cccc(OC(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-3-(trifluoromethoxy)aniline?
The InChIKey is LSRVHFQASBQSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO/c8-6-4(12)2-1-3-5(6)13-7(9,10)11/h1-3H,12H2.
What are the key properties of 2-fluoro-3-(trifluoromethoxy)aniline?
2-fluoro-3-(trifluoromethoxy)aniline has a molecular weight of 195.12 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 25210503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).