5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline

C14H11BrF3N — CID 116788850

IUPAC5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline
SMILESFc1ccc(Br)cc1NCC(F)(F)c1ccccc1
InChIInChI=1S/C14H11BrF3N/c15-11-6-7-12(16)13(8-11)19-9-14(17,18)10-4-2-1-3-5-10/h1-8,19H,9H2
InChIKeyTVCCDALUYCELQV-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.79
Rot. Bonds4

About 5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline

5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline (PubChem CID 116788850) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline
PubChem CID116788850
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline
SMILESFc1ccc(Br)cc1NCC(F)(F)c1ccccc1
InChIInChI=1S/C14H11BrF3N/c15-11-6-7-12(16)13(8-11)19-9-14(17,18)10-4-2-1-3-5-10/h1-8,19H,9H2
InChIKeyTVCCDALUYCELQV-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-chloro-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788818
N-(2,2-difluoro-2-phenylethyl)-2,3,4-trifluoroaniline
CID 116788722
2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788759
1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115222052
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropanoic acid
CID 79623525
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414519
3-(5-bromo-2-fluoroanilino)-2-phenylpropanenitrile
CID 64537416
3-bromo-4-[(2,2-difluoro-2-phenylethyl)amino]benzonitrile
CID 107789820
N-(2,2-difluoro-2-phenylethyl)-2,3,4,5,6-pentafluoroaniline
CID 162537681
2-(5-bromo-2-fluoroanilino)acetic acid
CID 43555633
5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline
CID 63488219
2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline
CID 107611463

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline?
The IUPAC name of 5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline (CID 116788850) is 5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline is Fc1ccc(Br)cc1NCC(F)(F)c1ccccc1.
What is the InChIKey of 5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline?
The InChIKey is TVCCDALUYCELQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-11-6-7-12(16)13(8-11)19-9-14(17,18)10-4-2-1-3-5-10/h1-8,19H,9H2.
What are the key properties of 5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline?
5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline has a molecular weight of 330.15 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline is sourced from PubChem (CID 116788850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).