2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline

C15H14F3N — CID 114828016

IUPAC2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1ccccc1F)Nc1cc(F)ccc1F
InChIInChI=1S/C15H14F3N/c1-10(8-11-4-2-3-5-13(11)17)19-15-9-12(16)6-7-14(15)18/h2-7,9-10,19H,8H2,1H3
InChIKeyHRULLKFROBFOJV-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.15
Rot. Bonds4

About 2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline

2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline (PubChem CID 114828016) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
PubChem CID114828016
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1ccccc1F)Nc1cc(F)ccc1F
InChIInChI=1S/C15H14F3N/c1-10(8-11-4-2-3-5-13(11)17)19-15-9-12(16)6-7-14(15)18/h2-7,9-10,19H,8H2,1H3
InChIKeyHRULLKFROBFOJV-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828542
2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828604
2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114830625
2,4,6-trichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828437
N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 114828563
4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 107787388
2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828434
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058
1-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 114828278
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872
N-(2,4-difluorophenyl)-N'-[1-(2-fluorophenyl)propan-2-yl]oxamide
CID 86831524
N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline
CID 114828426

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The IUPAC name of 2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline (CID 114828016) is 2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline.
What is the SMILES notation for 2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The canonical SMILES for 2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline is CC(Cc1ccccc1F)Nc1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The InChIKey is HRULLKFROBFOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-10(8-11-4-2-3-5-13(11)17)19-15-9-12(16)6-7-14(15)18/h2-7,9-10,19H,8H2,1H3.
What are the key properties of 2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline has a molecular weight of 265.28 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline is sourced from PubChem (CID 114828016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).