4-(fluoromethyl)-3-(trifluoromethyl)aniline

C8H7F4N — CID 91883575

IUPAC4-(fluoromethyl)-3-(trifluoromethyl)aniline
SMILESNc1ccc(CF)c(C(F)(F)F)c1
InChIInChI=1S/C8H7F4N/c9-4-5-1-2-6(13)3-7(5)8(10,11)12/h1-3H,4,13H2
InChIKeyURUMUNOCTBUTSK-UHFFFAOYSA-N
MW193.14 g/mol
LogP2.76
Rot. Bonds1

About 4-(fluoromethyl)-3-(trifluoromethyl)aniline

4-(fluoromethyl)-3-(trifluoromethyl)aniline (PubChem CID 91883575) has the molecular formula C8H7F4N and a molecular weight of 193.14 g/mol. Its IUPAC name is 4-(fluoromethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(fluoromethyl)-3-(trifluoromethyl)aniline
PubChem CID91883575
Molecular FormulaC8H7F4N
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name4-(fluoromethyl)-3-(trifluoromethyl)aniline
SMILESNc1ccc(CF)c(C(F)(F)F)c1
InChIInChI=1S/C8H7F4N/c9-4-5-1-2-6(13)3-7(5)8(10,11)12/h1-3H,4,13H2
InChIKeyURUMUNOCTBUTSK-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 52.76
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

CID 147886806
CID 147886806
4-bromo-3-(trifluoromethyl)aniline;4-ethyl-3-(trifluoromethyl)aniline
CID 158064528
1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene
CID 91883597
4-[[methyl(propyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117342
3-[4-amino-2-(trifluoromethyl)phenyl]-2-methylpropanal
CID 91884199
4-[[bis(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117529
4-(propan-2-ylsulfonylmethyl)-3-(trifluoromethyl)aniline
CID 81117982
4-(2-cyclopropylethoxymethyl)-3-(trifluoromethyl)aniline
CID 106199866
4-[(2,6-difluorophenoxy)methyl]-3-(trifluoromethyl)aniline
CID 81264640
3-[[4-amino-2-(trifluoromethyl)phenyl]methylsulfanyl]propan-1-ol
CID 81117978
4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117963
4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81118120

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(fluoromethyl)-3-(trifluoromethyl)aniline (CID 91883575) is 4-(fluoromethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(fluoromethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(fluoromethyl)-3-(trifluoromethyl)aniline is Nc1ccc(CF)c(C(F)(F)F)c1.
What is the InChIKey of 4-(fluoromethyl)-3-(trifluoromethyl)aniline?
The InChIKey is URUMUNOCTBUTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N/c9-4-5-1-2-6(13)3-7(5)8(10,11)12/h1-3H,4,13H2.
What are the key properties of 4-(fluoromethyl)-3-(trifluoromethyl)aniline?
4-(fluoromethyl)-3-(trifluoromethyl)aniline has a molecular weight of 193.14 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 91883575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).