4-(1,1,2-trifluoroethyl)aniline

C8H8F3N — CID 138013807

IUPAC4-(1,1,2-trifluoroethyl)aniline
SMILESNc1ccc(C(F)(F)CF)cc1
InChIInChI=1S/C8H8F3N/c9-5-8(10,11)6-1-3-7(12)4-2-6/h1-4H,5,12H2
InChIKeyVSJICLYFKMIHOY-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.33
Rot. Bonds2

About 4-(1,1,2-trifluoroethyl)aniline

4-(1,1,2-trifluoroethyl)aniline (PubChem CID 138013807) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 4-(1,1,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-(1,1,2-trifluoroethyl)aniline
PubChem CID138013807
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name4-(1,1,2-trifluoroethyl)aniline
SMILESNc1ccc(C(F)(F)CF)cc1
InChIInChI=1S/C8H8F3N/c9-5-8(10,11)6-1-3-7(12)4-2-6/h1-4H,5,12H2
InChIKeyVSJICLYFKMIHOY-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.33
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-(3-amino-1,1-difluoropropyl)aniline
CID 84660577
4-[4-(1,1-difluorobutyl)phenyl]aniline
CID 116992150
molecular iodine;4-(trifluoromethyl)aniline
CID 158841642
3-fluoro-4-(1,1,2-trifluoroethyl)aniline
CID 90024210
4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline
CID 154634122
4-(1,1,2,2,3,3,3-heptafluoropropyl)aniline
CID 15019334
4-[3-(4-aminophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yl]aniline
CID 22908509
2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol
CID 130274652
4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline
CID 156720551
4-(2,2,2-trifluoroethyl)aniline
CID 14836858
4-[difluoro(pyridin-4-yl)methyl]aniline
CID 83855648
3-(4-aminophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanenitrile
CID 137362388

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2-trifluoroethyl)aniline?
The IUPAC name of 4-(1,1,2-trifluoroethyl)aniline (CID 138013807) is 4-(1,1,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-(1,1,2-trifluoroethyl)aniline?
The canonical SMILES for 4-(1,1,2-trifluoroethyl)aniline is Nc1ccc(C(F)(F)CF)cc1.
What is the InChIKey of 4-(1,1,2-trifluoroethyl)aniline?
The InChIKey is VSJICLYFKMIHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c9-5-8(10,11)6-1-3-7(12)4-2-6/h1-4H,5,12H2.
What are the key properties of 4-(1,1,2-trifluoroethyl)aniline?
4-(1,1,2-trifluoroethyl)aniline has a molecular weight of 175.15 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2-trifluoroethyl)aniline is sourced from PubChem (CID 138013807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).