N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline

C15H13F4NO — CID 43104475

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
SMILESCC(Nc1cc(F)ccc1F)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H13F4NO/c1-9(20-14-8-11(16)4-7-13(14)17)10-2-5-12(6-3-10)21-15(18)19/h2-9,15,20H,1H3
InChIKeyYBHOMQLVBPEAMH-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.74
Rot. Bonds5

About N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline (PubChem CID 43104475) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
PubChem CID43104475
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
SMILESCC(Nc1cc(F)ccc1F)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H13F4NO/c1-9(20-14-8-11(16)4-7-13(14)17)10-2-5-12(6-3-10)21-15(18)19/h2-9,15,20H,1H3
InChIKeyYBHOMQLVBPEAMH-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43103926
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058
N-[1-(4-tert-butylphenyl)ethyl]-2,5-difluoroaniline
CID 43106797
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline
CID 43099103
5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43097181
2-bromo-5-chloro-N-[1-[4-(difluoromethoxy)phenyl]ethyl]aniline
CID 81269412
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43192576
5-bromo-2-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43555336
4-[1-[4-(difluoromethoxy)phenyl]ethylamino]-3-fluorobenzonitrile
CID 133350712
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 43088434
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoro-4-methylaniline
CID 43100863
5-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-fluoroaniline
CID 43555248

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline (CID 43104475) is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline is CC(Nc1cc(F)ccc1F)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline?
The InChIKey is YBHOMQLVBPEAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-9(20-14-8-11(16)4-7-13(14)17)10-2-5-12(6-3-10)21-15(18)19/h2-9,15,20H,1H3.
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline?
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline has a molecular weight of 299.27 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline is sourced from PubChem (CID 43104475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).