N-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline

C14H10F5N — CID 14926284

IUPACN-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline
SMILESFC(F)(F)C(F)(F)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10F5N/c15-13(16,17)14(18,19)20(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyKKSWINSPJZBBCN-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.98
Rot. Bonds3

About N-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline

N-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline (PubChem CID 14926284) has the molecular formula C14H10F5N and a molecular weight of 287.23 g/mol. Its IUPAC name is N-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline.

Molecular Properties

Compound NameN-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline
PubChem CID14926284
Molecular FormulaC14H10F5N
Molecular Weight287.23 g/mol
Exact Mass287.07
IUPAC NameN-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline
SMILESFC(F)(F)C(F)(F)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10F5N/c15-13(16,17)14(18,19)20(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyKKSWINSPJZBBCN-UHFFFAOYSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline?
The IUPAC name of N-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline (CID 14926284) is N-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline.
What is the SMILES notation for N-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline?
The canonical SMILES for N-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline is FC(F)(F)C(F)(F)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline?
The InChIKey is KKSWINSPJZBBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N/c15-13(16,17)14(18,19)20(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of N-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline?
N-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline has a molecular weight of 287.23 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,2-pentafluoroethyl)-N-phenylaniline is sourced from PubChem (CID 14926284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).