3-(1,2,2,2-tetrafluoroethyl)aniline

C8H7F4N — CID 83854117

IUPAC3-(1,2,2,2-tetrafluoroethyl)aniline
SMILESNc1cccc(C(F)C(F)(F)F)c1
InChIInChI=1S/C8H7F4N/c9-7(8(10,11)12)5-2-1-3-6(13)4-5/h1-4,7H,13H2
InChIKeyIXBYFFSOEJUOIK-UHFFFAOYSA-N
MW193.14 g/mol
LogP2.84
Rot. Bonds1

About 3-(1,2,2,2-tetrafluoroethyl)aniline

3-(1,2,2,2-tetrafluoroethyl)aniline (PubChem CID 83854117) has the molecular formula C8H7F4N and a molecular weight of 193.14 g/mol. Its IUPAC name is 3-(1,2,2,2-tetrafluoroethyl)aniline.

Molecular Properties

Compound Name3-(1,2,2,2-tetrafluoroethyl)aniline
PubChem CID83854117
Molecular FormulaC8H7F4N
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name3-(1,2,2,2-tetrafluoroethyl)aniline
SMILESNc1cccc(C(F)C(F)(F)F)c1
InChIInChI=1S/C8H7F4N/c9-7(8(10,11)12)5-2-1-3-6(13)4-5/h1-4,7H,13H2
InChIKeyIXBYFFSOEJUOIK-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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

3-(1-amino-2,2,2-trifluoroethyl)aniline
CID 55273208
[3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine
CID 83856265
3-(2,2,2-trifluoro-1-methoxyethyl)aniline
CID 68987189
3-[1-(1,1,1-trifluoropropan-2-yloxy)ethyl]aniline
CID 66275415
1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol
CID 106695875
3-(1,2,2,2-tetrafluoroethyl)benzenesulfonyl chloride
CID 84730280
5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole
CID 167981812
3-(1-cyclopropyl-2,2-difluoroethyl)aniline
CID 115020982
N-[1-(3-aminophenyl)ethyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309035
3-(4-methylpentan-2-yl)aniline
CID 15215881
5-[amino-(3-aminophenyl)methyl]benzene-1,3-diamine
CID 67060857
benzene-1,3-diamine
CID 7935

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,2,2-tetrafluoroethyl)aniline?
The IUPAC name of 3-(1,2,2,2-tetrafluoroethyl)aniline (CID 83854117) is 3-(1,2,2,2-tetrafluoroethyl)aniline.
What is the SMILES notation for 3-(1,2,2,2-tetrafluoroethyl)aniline?
The canonical SMILES for 3-(1,2,2,2-tetrafluoroethyl)aniline is Nc1cccc(C(F)C(F)(F)F)c1.
What is the InChIKey of 3-(1,2,2,2-tetrafluoroethyl)aniline?
The InChIKey is IXBYFFSOEJUOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N/c9-7(8(10,11)12)5-2-1-3-6(13)4-5/h1-4,7H,13H2.
What are the key properties of 3-(1,2,2,2-tetrafluoroethyl)aniline?
3-(1,2,2,2-tetrafluoroethyl)aniline has a molecular weight of 193.14 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2,2-tetrafluoroethyl)aniline is sourced from PubChem (CID 83854117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).