2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene

C13H9Cl2FO — CID 60627817

IUPAC2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
SMILESFc1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2FO/c14-10-6-5-9(11(15)7-10)8-17-13-4-2-1-3-12(13)16/h1-7H,8H2
InChIKeyYIUNWZHFCZYZLD-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.71
Rot. Bonds3

About 2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene

2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene (PubChem CID 60627817) has the molecular formula C13H9Cl2FO and a molecular weight of 271.12 g/mol. Its IUPAC name is 2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
PubChem CID60627817
Molecular FormulaC13H9Cl2FO
Molecular Weight271.12 g/mol
Exact Mass270.00
IUPAC Name2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
SMILESFc1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2FO/c14-10-6-5-9(11(15)7-10)8-17-13-4-2-1-3-12(13)16/h1-7H,8H2
InChIKeyYIUNWZHFCZYZLD-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-[(2-fluorophenoxy)methyl]aniline
CID 62102569
2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine
CID 116519330
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
5-chloro-2-[(2-chlorophenoxy)methyl]phenol
CID 117221050
6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran
CID 117177608
3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
CID 117219499
2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209562
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 4720065
4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene
CID 103046666
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
CID 4715702
[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
CID 102663575

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene?
The IUPAC name of 2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene (CID 60627817) is 2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene is Fc1ccccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene?
The InChIKey is YIUNWZHFCZYZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO/c14-10-6-5-9(11(15)7-10)8-17-13-4-2-1-3-12(13)16/h1-7H,8H2.
What are the key properties of 2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene?
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene has a molecular weight of 271.12 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene is sourced from PubChem (CID 60627817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).