2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline

C14H12BrF2N — CID 116788759

IUPAC2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline
SMILESFC(F)(CNc1ccccc1Br)c1ccccc1
InChIInChI=1S/C14H12BrF2N/c15-12-8-4-5-9-13(12)18-10-14(16,17)11-6-2-1-3-7-11/h1-9,18H,10H2
InChIKeyBWNXRTAYUATFLI-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.65
Rot. Bonds4

About 2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline

2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline (PubChem CID 116788759) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is 2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline
PubChem CID116788759
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC Name2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline
SMILESFC(F)(CNc1ccccc1Br)c1ccccc1
InChIInChI=1S/C14H12BrF2N/c15-12-8-4-5-9-13(12)18-10-14(16,17)11-6-2-1-3-7-11/h1-9,18H,10H2
InChIKeyBWNXRTAYUATFLI-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2,2-difluoro-2-phenylethyl)-3-methylaniline
CID 116789222
3-bromo-4-[(2,2-difluoro-2-phenylethyl)amino]benzonitrile
CID 107789820
5-bromo-N-(2,2-difluoro-2-phenylethyl)-2-fluoroaniline
CID 116788850
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
N-(2,2-difluoro-2-phenylethyl)-2-ethoxyaniline
CID 116788704
2-(difluoromethoxy)-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788816
N-(2,2-difluoro-2-phenylethyl)-2,3,4,5,6-pentafluoroaniline
CID 162537681
2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline
CID 107611463
3-(2-bromoanilino)-2,2-dimethylpropan-1-ol
CID 81414093
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29031697
(2,2-difluoro-2-phenylethyl)hydrazine
CID 116788671

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline?
The IUPAC name of 2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline (CID 116788759) is 2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline.
What is the SMILES notation for 2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline?
The canonical SMILES for 2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline is FC(F)(CNc1ccccc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline?
The InChIKey is BWNXRTAYUATFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c15-12-8-4-5-9-13(12)18-10-14(16,17)11-6-2-1-3-7-11/h1-9,18H,10H2.
What are the key properties of 2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline?
2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline has a molecular weight of 312.16 g/mol, XLogP of 4.65, 4 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-difluoro-2-phenylethyl)aniline is sourced from PubChem (CID 116788759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).