N-(2,2-difluoroethyl)aniline

C8H9F2N — CID 14965076

IUPACN-(2,2-difluoroethyl)aniline
SMILESFC(F)CNc1ccccc1
InChIInChI=1S/C8H9F2N/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5,8,11H,6H2
InChIKeyMLBYYTORZPAXDZ-UHFFFAOYSA-N
MW157.16 g/mol
LogP2.36
Rot. Bonds3

About N-(2,2-difluoroethyl)aniline

N-(2,2-difluoroethyl)aniline (PubChem CID 14965076) has the molecular formula C8H9F2N and a molecular weight of 157.16 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)aniline.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)aniline
PubChem CID14965076
Molecular FormulaC8H9F2N
Molecular Weight157.16 g/mol
Exact Mass157.07
IUPAC NameN-(2,2-difluoroethyl)aniline
SMILESFC(F)CNc1ccccc1
InChIInChI=1S/C8H9F2N/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5,8,11H,6H2
InChIKeyMLBYYTORZPAXDZ-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)aniline?
The IUPAC name of N-(2,2-difluoroethyl)aniline (CID 14965076) is N-(2,2-difluoroethyl)aniline.
What is the SMILES notation for N-(2,2-difluoroethyl)aniline?
The canonical SMILES for N-(2,2-difluoroethyl)aniline is FC(F)CNc1ccccc1.
What is the InChIKey of N-(2,2-difluoroethyl)aniline?
The InChIKey is MLBYYTORZPAXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5,8,11H,6H2.
What are the key properties of N-(2,2-difluoroethyl)aniline?
N-(2,2-difluoroethyl)aniline has a molecular weight of 157.16 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)aniline is sourced from PubChem (CID 14965076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).