N-(2,2,2-trifluoroethyl)aniline

C8H8F3N — CID 9596

IUPACN-(2,2,2-trifluoroethyl)aniline
SMILESFC(F)(F)CNc1ccccc1
InChIInChI=1S/C8H8F3N/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKeyIHCPNFMGAKAAKN-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.66
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)aniline

N-(2,2,2-trifluoroethyl)aniline (PubChem CID 9596) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)aniline
PubChem CID9596
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC NameN-(2,2,2-trifluoroethyl)aniline
SMILESFC(F)(F)CNc1ccccc1
InChIInChI=1S/C8H8F3N/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKeyIHCPNFMGAKAAKN-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of N-(2,2,2-trifluoroethyl)aniline (CID 9596) is N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for N-(2,2,2-trifluoroethyl)aniline is FC(F)(F)CNc1ccccc1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is IHCPNFMGAKAAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-5,12H,6H2.
What are the key properties of N-(2,2,2-trifluoroethyl)aniline?
N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 175.15 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 9596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).