2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline

C15H13ClF3NO — CID 43150484

IUPAC2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline
SMILESCC(Nc1ccc(F)cc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C15H13ClF3NO/c1-9(20-13-7-6-10(17)8-12(13)16)11-4-2-3-5-14(11)21-15(18)19/h2-9,15,20H,1H3
InChIKeyPEZGWTCJLVUQPS-UHFFFAOYSA-N
MW315.72 g/mol
LogP5.25
Rot. Bonds5

About 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline

2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline (PubChem CID 43150484) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline
PubChem CID43150484
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline
SMILESCC(Nc1ccc(F)cc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C15H13ClF3NO/c1-9(20-13-7-6-10(17)8-12(13)16)11-4-2-3-5-14(11)21-15(18)19/h2-9,15,20H,1H3
InChIKeyPEZGWTCJLVUQPS-UHFFFAOYSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.72
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline
CID 43733794
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43192576
2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 43096601
5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline
CID 43109609
2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 65468369
2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
2-chloro-4-fluoro-N-[1-(2-nitrophenyl)ethyl]aniline
CID 43150386
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
2-chloro-4-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43773957

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline?
The IUPAC name of 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline (CID 43150484) is 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline.
What is the SMILES notation for 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline?
The canonical SMILES for 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline is CC(Nc1ccc(F)cc1Cl)c1ccccc1OC(F)F.
What is the InChIKey of 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline?
The InChIKey is PEZGWTCJLVUQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-9(20-13-7-6-10(17)8-12(13)16)11-4-2-3-5-14(11)21-15(18)19/h2-9,15,20H,1H3.
What are the key properties of 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline?
2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline has a molecular weight of 315.72 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline is sourced from PubChem (CID 43150484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).