N-(2,2-difluoroethyl)-3,5-difluoroaniline

C8H7F4N — CID 60922925

IUPACN-(2,2-difluoroethyl)-3,5-difluoroaniline
SMILESFc1cc(F)cc(NCC(F)F)c1
InChIInChI=1S/C8H7F4N/c9-5-1-6(10)3-7(2-5)13-4-8(11)12/h1-3,8,13H,4H2
InChIKeyYCEFRJFTTKWBDF-UHFFFAOYSA-N
MW193.14 g/mol
LogP2.64
Rot. Bonds3

About N-(2,2-difluoroethyl)-3,5-difluoroaniline

N-(2,2-difluoroethyl)-3,5-difluoroaniline (PubChem CID 60922925) has the molecular formula C8H7F4N and a molecular weight of 193.14 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3,5-difluoroaniline.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3,5-difluoroaniline
PubChem CID60922925
Molecular FormulaC8H7F4N
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC NameN-(2,2-difluoroethyl)-3,5-difluoroaniline
SMILESFc1cc(F)cc(NCC(F)F)c1
InChIInChI=1S/C8H7F4N/c9-5-1-6(10)3-7(2-5)13-4-8(11)12/h1-3,8,13H,4H2
InChIKeyYCEFRJFTTKWBDF-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

3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
N-(2,2-difluoroethyl)-3-fluoroaniline
CID 60922269
1-(3,5-difluoroanilino)propan-2-ol
CID 60886197
1-(3,5-difluoroanilino)butan-2-ol
CID 60885411
N-(2,2-dimethoxyethyl)-3,5-difluoroaniline
CID 63686979
3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
3-fluoro-N-(2-fluorobutyl)-5-methylaniline
CID 131160310
3-bromo-N-(2,2-difluoroethyl)-5-methylaniline
CID 107583058
N'-(3,5-difluorophenyl)ethane-1,2-diamine
CID 11116511
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274
3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline
CID 107875822
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3,5-difluoroaniline?
The IUPAC name of N-(2,2-difluoroethyl)-3,5-difluoroaniline (CID 60922925) is N-(2,2-difluoroethyl)-3,5-difluoroaniline.
What is the SMILES notation for N-(2,2-difluoroethyl)-3,5-difluoroaniline?
The canonical SMILES for N-(2,2-difluoroethyl)-3,5-difluoroaniline is Fc1cc(F)cc(NCC(F)F)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-3,5-difluoroaniline?
The InChIKey is YCEFRJFTTKWBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N/c9-5-1-6(10)3-7(2-5)13-4-8(11)12/h1-3,8,13H,4H2.
What are the key properties of N-(2,2-difluoroethyl)-3,5-difluoroaniline?
N-(2,2-difluoroethyl)-3,5-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)-3,5-difluoroaniline is sourced from PubChem (CID 60922925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).