3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline

C9H8F5N — CID 167292102

IUPAC3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline
SMILESCCc1c(F)c(N)cc(F)c1C(F)(F)F
InChIInChI=1S/C9H8F5N/c1-2-4-7(9(12,13)14)5(10)3-6(15)8(4)11/h3H,2,15H2,1H3
InChIKeyBNIICHJWNWKZCG-UHFFFAOYSA-N
MW225.16 g/mol
LogP3.13
Rot. Bonds1

About 3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline

3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline (PubChem CID 167292102) has the molecular formula C9H8F5N and a molecular weight of 225.16 g/mol. Its IUPAC name is 3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline
PubChem CID167292102
Molecular FormulaC9H8F5N
Molecular Weight225.16 g/mol
Exact Mass225.06
IUPAC Name3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline
SMILESCCc1c(F)c(N)cc(F)c1C(F)(F)F
InChIInChI=1S/C9H8F5N/c1-2-4-7(9(12,13)14)5(10)3-6(15)8(4)11/h3H,2,15H2,1H3
InChIKeyBNIICHJWNWKZCG-UHFFFAOYSA-N
XLogP3.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline?
The IUPAC name of 3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline (CID 167292102) is 3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for 3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for 3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline is CCc1c(F)c(N)cc(F)c1C(F)(F)F.
What is the InChIKey of 3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline?
The InChIKey is BNIICHJWNWKZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5N/c1-2-4-7(9(12,13)14)5(10)3-6(15)8(4)11/h3H,2,15H2,1H3.
What are the key properties of 3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline?
3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline has a molecular weight of 225.16 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 167292102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).