2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-fluoroethoxy)aniline

C16H15ClF3NO3 — CID 59309747

IUPAC2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-fluoroethoxy)aniline
SMILESCOc1ccc(F)c(F)c1COc1cc(N)c(Cl)cc1OCCF
InChIInChI=1S/C16H15ClF3NO3/c1-22-13-3-2-11(19)16(20)9(13)8-24-15-7-12(21)10(17)6-14(15)23-5-4-18/h2-3,6-7H,4-5,8,21H2,1H3
InChIKeyXDUSHPHHCTXZBJ-UHFFFAOYSA-N
MW361.75 g/mol
LogP4.14
Rot. Bonds7

About 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-fluoroethoxy)aniline

2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-fluoroethoxy)aniline (PubChem CID 59309747) has the molecular formula C16H15ClF3NO3 and a molecular weight of 361.75 g/mol. Its IUPAC name is 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-fluoroethoxy)aniline.

Molecular Properties

Compound Name2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-fluoroethoxy)aniline
PubChem CID59309747
Molecular FormulaC16H15ClF3NO3
Molecular Weight361.75 g/mol
Exact Mass361.07
IUPAC Name2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-fluoroethoxy)aniline
SMILESCOc1ccc(F)c(F)c1COc1cc(N)c(Cl)cc1OCCF
InChIInChI=1S/C16H15ClF3NO3/c1-22-13-3-2-11(19)16(20)9(13)8-24-15-7-12(21)10(17)6-14(15)23-5-4-18/h2-3,6-7H,4-5,8,21H2,1H3
InChIKeyXDUSHPHHCTXZBJ-UHFFFAOYSA-N
XLogP4.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-fluoroethoxy)aniline?
The IUPAC name of 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-fluoroethoxy)aniline (CID 59309747) is 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-fluoroethoxy)aniline.
What is the SMILES notation for 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-fluoroethoxy)aniline?
The canonical SMILES for 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-fluoroethoxy)aniline is COc1ccc(F)c(F)c1COc1cc(N)c(Cl)cc1OCCF.
What is the InChIKey of 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-fluoroethoxy)aniline?
The InChIKey is XDUSHPHHCTXZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO3/c1-22-13-3-2-11(19)16(20)9(13)8-24-15-7-12(21)10(17)6-14(15)23-5-4-18/h2-3,6-7H,4-5,8,21H2,1H3.
What are the key properties of 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-fluoroethoxy)aniline?
2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-fluoroethoxy)aniline has a molecular weight of 361.75 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-fluoroethoxy)aniline is sourced from PubChem (CID 59309747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).