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

C18H20F2O4 — CID 134092285

IUPAC1,3-bis(2-fluoroethoxy)-2-[(4-methoxyphenoxy)methyl]benzene
SMILESCOc1ccc(OCc2c(OCCF)cccc2OCCF)cc1
InChIInChI=1S/C18H20F2O4/c1-21-14-5-7-15(8-6-14)24-13-16-17(22-11-9-19)3-2-4-18(16)23-12-10-20/h2-8H,9-13H2,1H3
InChIKeyUQVXVFLLNRNULQ-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.97
Rot. Bonds10

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

1,3-bis(2-fluoroethoxy)-2-[(4-methoxyphenoxy)methyl]benzene (PubChem CID 134092285) has the molecular formula C18H20F2O4 and a molecular weight of 338.35 g/mol. Its IUPAC name is 1,3-bis(2-fluoroethoxy)-2-[(4-methoxyphenoxy)methyl]benzene.

Molecular Properties

Compound Name1,3-bis(2-fluoroethoxy)-2-[(4-methoxyphenoxy)methyl]benzene
PubChem CID134092285
Molecular FormulaC18H20F2O4
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC Name1,3-bis(2-fluoroethoxy)-2-[(4-methoxyphenoxy)methyl]benzene
SMILESCOc1ccc(OCc2c(OCCF)cccc2OCCF)cc1
InChIInChI=1S/C18H20F2O4/c1-21-14-5-7-15(8-6-14)24-13-16-17(22-11-9-19)3-2-4-18(16)23-12-10-20/h2-8H,9-13H2,1H3
InChIKeyUQVXVFLLNRNULQ-UHFFFAOYSA-N
XLogP3.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenoxy)methyl]-1,3-bis(2-fluoroethoxy)benzene
CID 134123415
1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene
CID 127026687
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 114320878
1,2-bis(2-fluoroethoxy)benzene
CID 15058677
1,2,3-tris(2-fluoroethoxy)benzene
CID 15058725
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198
1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene
CID 80694443
2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol
CID 114764222
2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine
CID 62047657
2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine
CID 114321645
2-(2-(18F)fluoroethoxy)-1,4-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 11509622

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-fluoroethoxy)-2-[(4-methoxyphenoxy)methyl]benzene?
The IUPAC name of 1,3-bis(2-fluoroethoxy)-2-[(4-methoxyphenoxy)methyl]benzene (CID 134092285) is 1,3-bis(2-fluoroethoxy)-2-[(4-methoxyphenoxy)methyl]benzene.
What is the SMILES notation for 1,3-bis(2-fluoroethoxy)-2-[(4-methoxyphenoxy)methyl]benzene?
The canonical SMILES for 1,3-bis(2-fluoroethoxy)-2-[(4-methoxyphenoxy)methyl]benzene is COc1ccc(OCc2c(OCCF)cccc2OCCF)cc1.
What is the InChIKey of 1,3-bis(2-fluoroethoxy)-2-[(4-methoxyphenoxy)methyl]benzene?
The InChIKey is UQVXVFLLNRNULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2O4/c1-21-14-5-7-15(8-6-14)24-13-16-17(22-11-9-19)3-2-4-18(16)23-12-10-20/h2-8H,9-13H2,1H3.
What are the key properties of 1,3-bis(2-fluoroethoxy)-2-[(4-methoxyphenoxy)methyl]benzene?
1,3-bis(2-fluoroethoxy)-2-[(4-methoxyphenoxy)methyl]benzene has a molecular weight of 338.35 g/mol, XLogP of 3.97, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-fluoroethoxy)-2-[(4-methoxyphenoxy)methyl]benzene is sourced from PubChem (CID 134092285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).