2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline

C8H7BrF3N — CID 107635577

IUPAC2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline
SMILESFc1ccc(Br)c(NCC(F)F)c1
InChIInChI=1S/C8H7BrF3N/c9-6-2-1-5(10)3-7(6)13-4-8(11)12/h1-3,8,13H,4H2
InChIKeyZAKOJWXGEUEKCG-UHFFFAOYSA-N
MW254.05 g/mol
LogP3.27
Rot. Bonds3

About 2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline

2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline (PubChem CID 107635577) has the molecular formula C8H7BrF3N and a molecular weight of 254.05 g/mol. Its IUPAC name is 2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline
PubChem CID107635577
Molecular FormulaC8H7BrF3N
Molecular Weight254.05 g/mol
Exact Mass252.97
IUPAC Name2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline
SMILESFc1ccc(Br)c(NCC(F)F)c1
InChIInChI=1S/C8H7BrF3N/c9-6-2-1-5(10)3-7(6)13-4-8(11)12/h1-3,8,13H,4H2
InChIKeyZAKOJWXGEUEKCG-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.05
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dibromo-N-(2,2-difluoroethyl)aniline
CID 61467186
1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
CID 107636062
N-(2,2-difluoroethyl)-2,4-difluoroaniline
CID 60922655
2-(2-bromo-5-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 107635978
2-bromo-N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoroaniline
CID 107632927
2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol
CID 107635976
1-(2-bromo-5-fluoroanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 107635655
1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 107635766
2-(2-bromo-5-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 113319310
2-bromo-5-fluoro-N-(2-methoxyethyl)aniline
CID 107635967
3-(2-bromo-5-fluoroanilino)propanoic acid
CID 107635600
2-bromo-N-[(E)-but-2-enyl]-5-fluoroaniline
CID 107899369

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline?
The IUPAC name of 2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline (CID 107635577) is 2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline.
What is the SMILES notation for 2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline?
The canonical SMILES for 2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline is Fc1ccc(Br)c(NCC(F)F)c1.
What is the InChIKey of 2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline?
The InChIKey is ZAKOJWXGEUEKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3N/c9-6-2-1-5(10)3-7(6)13-4-8(11)12/h1-3,8,13H,4H2.
What are the key properties of 2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline?
2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline has a molecular weight of 254.05 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline is sourced from PubChem (CID 107635577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).