2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene

C17H17ClF2O3 — CID 134123415

IUPAC2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene
SMILESFCCOc1cccc(OCCF)c1COc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClF2O3/c18-13-4-6-14(7-5-13)23-12-15-16(21-10-8-19)2-1-3-17(15)22-11-9-20/h1-7H,8-12H2
InChIKeyQWBMIMNSCFIACJ-UHFFFAOYSA-N
MW342.77 g/mol
LogP4.62
Rot. Bonds9

About 2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene

2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene (PubChem CID 134123415) has the molecular formula C17H17ClF2O3 and a molecular weight of 342.77 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene
PubChem CID134123415
Molecular FormulaC17H17ClF2O3
Molecular Weight342.77 g/mol
Exact Mass342.08
IUPAC Name2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene
SMILESFCCOc1cccc(OCCF)c1COc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClF2O3/c18-13-4-6-14(7-5-13)23-12-15-16(21-10-8-19)2-1-3-17(15)22-11-9-20/h1-7H,8-12H2
InChIKeyQWBMIMNSCFIACJ-UHFFFAOYSA-N
XLogP4.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.77
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene (CID 134123415) is 2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene is FCCOc1cccc(OCCF)c1COc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene?
The InChIKey is QWBMIMNSCFIACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2O3/c18-13-4-6-14(7-5-13)23-12-15-16(21-10-8-19)2-1-3-17(15)22-11-9-20/h1-7H,8-12H2.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene?
2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene has a molecular weight of 342.77 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene is sourced from PubChem (CID 134123415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).