N-(2,2-difluoroethyl)-N-phenylaniline

C14H13F2N — CID 10399080

IUPACN-(2,2-difluoroethyl)-N-phenylaniline
SMILESFC(F)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13F2N/c15-14(16)11-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyHREYCENMHDJBQX-UHFFFAOYSA-N
MW233.26 g/mol
LogP4.09
Rot. Bonds4

About N-(2,2-difluoroethyl)-N-phenylaniline

N-(2,2-difluoroethyl)-N-phenylaniline (PubChem CID 10399080) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-phenylaniline.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-phenylaniline
PubChem CID10399080
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC NameN-(2,2-difluoroethyl)-N-phenylaniline
SMILESFC(F)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13F2N/c15-14(16)11-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyHREYCENMHDJBQX-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(2,2-difluoroethyl)-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-(2,2-difluoroethyl)-N-phenylaniline?
The IUPAC name of N-(2,2-difluoroethyl)-N-phenylaniline (CID 10399080) is N-(2,2-difluoroethyl)-N-phenylaniline.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-phenylaniline?
The canonical SMILES for N-(2,2-difluoroethyl)-N-phenylaniline is FC(F)CN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-phenylaniline?
The InChIKey is HREYCENMHDJBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c15-14(16)11-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of N-(2,2-difluoroethyl)-N-phenylaniline?
N-(2,2-difluoroethyl)-N-phenylaniline has a molecular weight of 233.26 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-phenylaniline is sourced from PubChem (CID 10399080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).