N-(2,2-difluoroethyl)-2,4-difluoroaniline

C8H7F4N — CID 60922655

IUPACN-(2,2-difluoroethyl)-2,4-difluoroaniline
SMILESFc1ccc(NCC(F)F)c(F)c1
InChIInChI=1S/C8H7F4N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3,8,13H,4H2
InChIKeyATVFNDVSDZDMLG-UHFFFAOYSA-N
MW193.14 g/mol
LogP2.64
Rot. Bonds3

About N-(2,2-difluoroethyl)-2,4-difluoroaniline

N-(2,2-difluoroethyl)-2,4-difluoroaniline (PubChem CID 60922655) has the molecular formula C8H7F4N and a molecular weight of 193.14 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2,4-difluoroaniline.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2,4-difluoroaniline
PubChem CID60922655
Molecular FormulaC8H7F4N
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC NameN-(2,2-difluoroethyl)-2,4-difluoroaniline
SMILESFc1ccc(NCC(F)F)c(F)c1
InChIInChI=1S/C8H7F4N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3,8,13H,4H2
InChIKeyATVFNDVSDZDMLG-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-(2,4-difluorophenyl)propane-1,2,3-triamine
CID 115119393
2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline
CID 107635577
2-(2,4-difluoroanilino)-1-phenylethanol
CID 60721673
2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
CID 60901832
3-amino-4-(2,4-difluoroanilino)butanoic acid
CID 115241465
3-(2,4-difluoroanilino)-N'-hydroxy-2-methylpropanimidamide
CID 77027484
2,4-difluoro-N-(3-fluoropropyl)aniline
CID 81106316
5-(2,4-difluoroanilino)pentanenitrile
CID 60679330
N-(2,4-difluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 23540138
N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine
CID 133368446
2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
CID 28582835
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-3-fluorobenzonitrile
CID 78916070

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2,4-difluoroaniline?
The IUPAC name of N-(2,2-difluoroethyl)-2,4-difluoroaniline (CID 60922655) is N-(2,2-difluoroethyl)-2,4-difluoroaniline.
What is the SMILES notation for N-(2,2-difluoroethyl)-2,4-difluoroaniline?
The canonical SMILES for N-(2,2-difluoroethyl)-2,4-difluoroaniline is Fc1ccc(NCC(F)F)c(F)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-2,4-difluoroaniline?
The InChIKey is ATVFNDVSDZDMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3,8,13H,4H2.
What are the key properties of N-(2,2-difluoroethyl)-2,4-difluoroaniline?
N-(2,2-difluoroethyl)-2,4-difluoroaniline has a molecular weight of 193.14 g/mol, XLogP of 2.64, 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)-2,4-difluoroaniline is sourced from PubChem (CID 60922655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).