2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline

C14H12ClF2N — CID 43088282

IUPAC2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(F)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H12ClF2N/c1-9(10-2-4-11(16)5-3-10)18-14-7-6-12(17)8-13(14)15/h2-9,18H,1H3
InChIKeyVQZGZOVLVYZSJI-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.79
Rot. Bonds3

About 2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline

2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline (PubChem CID 43088282) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
PubChem CID43088282
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(F)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H12ClF2N/c1-9(10-2-4-11(16)5-3-10)18-14-7-6-12(17)8-13(14)15/h2-9,18H,1H3
InChIKeyVQZGZOVLVYZSJI-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline
CID 43150522
2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43150506
[4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea
CID 43774024
4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43226871
3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43085619
2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107527068
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 104722878
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 83069686
N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
CID 43078754
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline?
The IUPAC name of 2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline (CID 43088282) is 2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline is CC(Nc1ccc(F)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline?
The InChIKey is VQZGZOVLVYZSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-9(10-2-4-11(16)5-3-10)18-14-7-6-12(17)8-13(14)15/h2-9,18H,1H3.
What are the key properties of 2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline?
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline has a molecular weight of 267.71 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 43088282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).