2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline

C15H14F3N — CID 43095155

IUPAC2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
SMILESCCC(Nc1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C15H14F3N/c1-2-14(10-3-5-11(16)6-4-10)19-15-8-7-12(17)9-13(15)18/h3-9,14,19H,2H2,1H3
InChIKeyBRFZMJFBZCWJIS-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.67
Rot. Bonds4

About 2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline

2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline (PubChem CID 43095155) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
PubChem CID43095155
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
SMILESCCC(Nc1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C15H14F3N/c1-2-14(10-3-5-11(16)6-4-10)19-15-8-7-12(17)9-13(15)18/h3-9,14,19H,2H2,1H3
InChIKeyBRFZMJFBZCWJIS-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(4-bromo-2-fluoroanilino)propyl]phenol
CID 43192625
2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43122613
N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline
CID 63455009
2-fluoro-4-methyl-N-(1-phenylpropyl)aniline
CID 43114235
3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 55194278
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469
5-bromo-N-[1-(4-ethylphenyl)propyl]-2,4-difluoroaniline
CID 102852685
N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 43106862
N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline
CID 63476825
5-bromo-N-[1-(4-bromophenyl)propyl]-2,4-difluoroaniline
CID 102853099
4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline
CID 43097522
4-[1-(4-fluoro-2-nitroanilino)propyl]phenol
CID 43685294

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline?
The IUPAC name of 2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline (CID 43095155) is 2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline.
What is the SMILES notation for 2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline?
The canonical SMILES for 2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline is CCC(Nc1ccc(F)cc1F)c1ccc(F)cc1.
What is the InChIKey of 2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline?
The InChIKey is BRFZMJFBZCWJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-2-14(10-3-5-11(16)6-4-10)19-15-8-7-12(17)9-13(15)18/h3-9,14,19H,2H2,1H3.
What are the key properties of 2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline?
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline has a molecular weight of 265.28 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline is sourced from PubChem (CID 43095155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).