4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline

C18H12ClF2NO2 — CID 139337332

IUPAC4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline
SMILESNc1ccc(Oc2ccc(F)cc2Cl)c(Oc2ccc(F)cc2)c1
InChIInChI=1S/C18H12ClF2NO2/c19-15-9-12(21)3-7-16(15)24-17-8-4-13(22)10-18(17)23-14-5-1-11(20)2-6-14/h1-10H,22H2
InChIKeyNILPCGZPPPRLDR-UHFFFAOYSA-N
MW347.75 g/mol
LogP5.78
Rot. Bonds4

About 4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline

4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline (PubChem CID 139337332) has the molecular formula C18H12ClF2NO2 and a molecular weight of 347.75 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline
PubChem CID139337332
Molecular FormulaC18H12ClF2NO2
Molecular Weight347.75 g/mol
Exact Mass347.05
IUPAC Name4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline
SMILESNc1ccc(Oc2ccc(F)cc2Cl)c(Oc2ccc(F)cc2)c1
InChIInChI=1S/C18H12ClF2NO2/c19-15-9-12(21)3-7-16(15)24-17-8-4-13(22)10-18(17)23-14-5-1-11(20)2-6-14/h1-10H,22H2
InChIKeyNILPCGZPPPRLDR-UHFFFAOYSA-N
XLogP5.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.75
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(2,5-difluorophenoxy)aniline
CID 63268649
4-(4-fluorophenoxy)-3-iodoaniline
CID 66092753
3-(4-fluorophenoxy)-4-methylaniline
CID 102167590
2-chloro-1-[4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 55221605
3-(2-chloro-4-fluorophenoxy)-5-methylaniline
CID 112648439
1-[4-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087882
4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline
CID 54902948
3-chloro-4-(4-propan-2-ylphenoxy)aniline
CID 26189720
5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
CID 66077320
(1S)-1-[4-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 63374529
3-chloro-4-(4-fluorophenoxy)benzenecarbothioamide
CID 63087309
2-(4-chlorophenoxy)-5-fluoroaniline
CID 26189667

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline?
The IUPAC name of 4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline (CID 139337332) is 4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline.
What is the SMILES notation for 4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline?
The canonical SMILES for 4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline is Nc1ccc(Oc2ccc(F)cc2Cl)c(Oc2ccc(F)cc2)c1.
What is the InChIKey of 4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline?
The InChIKey is NILPCGZPPPRLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2NO2/c19-15-9-12(21)3-7-16(15)24-17-8-4-13(22)10-18(17)23-14-5-1-11(20)2-6-14/h1-10H,22H2.
What are the key properties of 4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline?
4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline has a molecular weight of 347.75 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline is sourced from PubChem (CID 139337332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).