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

C14H12ClF2N — CID 43085619

IUPAC3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
SMILESCC(Nc1cccc(Cl)c1F)c1ccc(F)cc1
InChIInChI=1S/C14H12ClF2N/c1-9(10-5-7-11(16)8-6-10)18-13-4-2-3-12(15)14(13)17/h2-9,18H,1H3
InChIKeyAMAWWTWAPNIZJN-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.79
Rot. Bonds3

About 3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline

3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline (PubChem CID 43085619) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
PubChem CID43085619
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
SMILESCC(Nc1cccc(Cl)c1F)c1ccc(F)cc1
InChIInChI=1S/C14H12ClF2N/c1-9(10-5-7-11(16)8-6-10)18-13-4-2-3-12(15)14(13)17/h2-9,18H,1H3
InChIKeyAMAWWTWAPNIZJN-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

3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoroaniline
CID 43772875
3-chloro-2-fluoro-N-(1-pyridin-4-ylethyl)aniline
CID 43122983
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline
CID 43122894
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline
CID 43225069
3-chloro-2-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43122944
4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43226871
2,3-dichloro-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43096870
3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline
CID 43758590
3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline
CID 62535633
2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 104722878
3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-nitroaniline
CID 61226059

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline?
The IUPAC name of 3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline (CID 43085619) is 3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline?
The canonical SMILES for 3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline is CC(Nc1cccc(Cl)c1F)c1ccc(F)cc1.
What is the InChIKey of 3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline?
The InChIKey is AMAWWTWAPNIZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-9(10-5-7-11(16)8-6-10)18-13-4-2-3-12(15)14(13)17/h2-9,18H,1H3.
What are the key properties of 3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline?
3-chloro-2-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 3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 43085619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).