N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline

C14H11ClF3N — CID 83069531

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline
SMILESCC(Nc1c(F)cccc1F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11ClF3N/c1-8(9-5-6-10(15)13(18)7-9)19-14-11(16)3-2-4-12(14)17/h2-8,19H,1H3
InChIKeyYBWIBYQSABYPQI-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.93
Rot. Bonds3

About N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline (PubChem CID 83069531) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline
PubChem CID83069531
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline
SMILESCC(Nc1c(F)cccc1F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11ClF3N/c1-8(9-5-6-10(15)13(18)7-9)19-14-11(16)3-2-4-12(14)17/h2-8,19H,1H3
InChIKeyYBWIBYQSABYPQI-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline
CID 83069311
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 83058691
2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
CID 107610390
3-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069843
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 83069629
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
2-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-methylaniline
CID 83069708
1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 83069930
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine
CID 83069299

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline (CID 83069531) is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline is CC(Nc1c(F)cccc1F)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline?
The InChIKey is YBWIBYQSABYPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c1-8(9-5-6-10(15)13(18)7-9)19-14-11(16)3-2-4-12(14)17/h2-8,19H,1H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline?
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline has a molecular weight of 285.70 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline is sourced from PubChem (CID 83069531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).