2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline

C14H10BrClF3N — CID 107611463

IUPAC2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline
SMILESFc1cc(Cl)c(NCC(F)(F)c2ccccc2)c(Br)c1
InChIInChI=1S/C14H10BrClF3N/c15-11-6-10(17)7-12(16)13(11)20-8-14(18,19)9-4-2-1-3-5-9/h1-7,20H,8H2
InChIKeyDBCOAHGIWKJYFT-UHFFFAOYSA-N
MW364.59 g/mol
LogP5.45
Rot. Bonds4

About 2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline

2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline (PubChem CID 107611463) has the molecular formula C14H10BrClF3N and a molecular weight of 364.59 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline
PubChem CID107611463
Molecular FormulaC14H10BrClF3N
Molecular Weight364.59 g/mol
Exact Mass362.96
IUPAC Name2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline
SMILESFc1cc(Cl)c(NCC(F)(F)c2ccccc2)c(Br)c1
InChIInChI=1S/C14H10BrClF3N/c15-11-6-10(17)7-12(16)13(11)20-8-14(18,19)9-4-2-1-3-5-9/h1-7,20H,8H2
InChIKeyDBCOAHGIWKJYFT-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.59
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-difluoro-2-phenylethyl)-2,3,4,5,6-pentafluoroaniline
CID 162537681
4-bromo-2-chloro-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788818
2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
CID 107611223
2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788759
2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline
CID 107610048
5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline
CID 116788850
N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline
CID 83076808
3-chloro-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788755
2-bromo-6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]phenol
CID 107610553
2-bromo-6-chloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107610595
2-bromo-6-chloro-4-fluoro-N-[(2-nitrophenyl)methyl]aniline
CID 107610150
2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922632

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline?
The IUPAC name of 2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline (CID 107611463) is 2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline.
What is the SMILES notation for 2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline?
The canonical SMILES for 2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline is Fc1cc(Cl)c(NCC(F)(F)c2ccccc2)c(Br)c1.
What is the InChIKey of 2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline?
The InChIKey is DBCOAHGIWKJYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3N/c15-11-6-10(17)7-12(16)13(11)20-8-14(18,19)9-4-2-1-3-5-9/h1-7,20H,8H2.
What are the key properties of 2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline?
2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline has a molecular weight of 364.59 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline is sourced from PubChem (CID 107611463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).