N-(2,2-difluoroethyl)-3-fluoroaniline

C8H8F3N — CID 60922269

IUPACN-(2,2-difluoroethyl)-3-fluoroaniline
SMILESFc1cccc(NCC(F)F)c1
InChIInChI=1S/C8H8F3N/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4,8,12H,5H2
InChIKeyJYOFNVLAXWTXCV-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.50
Rot. Bonds3

About N-(2,2-difluoroethyl)-3-fluoroaniline

N-(2,2-difluoroethyl)-3-fluoroaniline (PubChem CID 60922269) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-fluoroaniline.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-fluoroaniline
PubChem CID60922269
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC NameN-(2,2-difluoroethyl)-3-fluoroaniline
SMILESFc1cccc(NCC(F)F)c1
InChIInChI=1S/C8H8F3N/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4,8,12H,5H2
InChIKeyJYOFNVLAXWTXCV-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,2-difluoroethyl)-3-fluoroaniline with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,2-difluoroethyl)-3,5-difluoroaniline
CID 60922925
1-(3-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582
[3-(2,2-difluoroethylamino)phenyl]methanol
CID 130693904
3-(chloromethyl)-N-(2,2-difluoroethyl)aniline
CID 65023628
3-(2,2-difluoroethylamino)benzonitrile
CID 60922387
N'-(3-fluorophenyl)-N-phenylmethanediamine
CID 141068458
1-N-(3-fluorophenyl)hexane-1,2-diamine
CID 83951003
2-[(3-fluoroanilino)methyl]phenol
CID 27267422
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084
1-(diethylamino)-3-(3-fluoroanilino)propan-2-ol
CID 60897193
(2S)-3-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 118033455
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-fluoroaniline?
The IUPAC name of N-(2,2-difluoroethyl)-3-fluoroaniline (CID 60922269) is N-(2,2-difluoroethyl)-3-fluoroaniline.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-fluoroaniline?
The canonical SMILES for N-(2,2-difluoroethyl)-3-fluoroaniline is Fc1cccc(NCC(F)F)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-fluoroaniline?
The InChIKey is JYOFNVLAXWTXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4,8,12H,5H2.
What are the key properties of N-(2,2-difluoroethyl)-3-fluoroaniline?
N-(2,2-difluoroethyl)-3-fluoroaniline has a molecular weight of 175.15 g/mol, XLogP of 2.50, 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-fluoroaniline is sourced from PubChem (CID 60922269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).