5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline

C14H11BrF3N — CID 115526124

IUPAC5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline
SMILESFc1ccc(Br)cc1NCc1cccc(C(F)F)c1
InChIInChI=1S/C14H11BrF3N/c15-11-4-5-12(16)13(7-11)19-8-9-2-1-3-10(6-9)14(17)18/h1-7,14,19H,8H2
InChIKeyMOFOZCDSDKSLJD-UHFFFAOYSA-N
MW330.15 g/mol
LogP5.14
Rot. Bonds4

About 5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline

5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline (PubChem CID 115526124) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline
PubChem CID115526124
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline
SMILESFc1ccc(Br)cc1NCc1cccc(C(F)F)c1
InChIInChI=1S/C14H11BrF3N/c15-11-4-5-12(16)13(7-11)19-8-9-2-1-3-10(6-9)14(17)18/h1-7,14,19H,8H2
InChIKeyMOFOZCDSDKSLJD-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.15
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(difluoromethyl)phenyl]methyl]-2,4,5-trifluoroaniline
CID 115526484
5-bromo-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79978991
N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline
CID 113328691
N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463412
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline
CID 115525992
N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline
CID 115525983
N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoro-4-nitroaniline
CID 115526428
2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline
CID 115526003
1-N-[[3-(difluoromethyl)phenyl]methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115526242
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320
5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline
CID 43777556
5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79979064

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline?
The IUPAC name of 5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline (CID 115526124) is 5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline is Fc1ccc(Br)cc1NCc1cccc(C(F)F)c1.
What is the InChIKey of 5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline?
The InChIKey is MOFOZCDSDKSLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-11-4-5-12(16)13(7-11)19-8-9-2-1-3-10(6-9)14(17)18/h1-7,14,19H,8H2.
What are the key properties of 5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline?
5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline has a molecular weight of 330.15 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline is sourced from PubChem (CID 115526124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).