fluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate

C18H16Cl2F2O4 — CID 143917773

IUPACfluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate
SMILESCCOC(CC(=O)OF)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C18H16Cl2F2O4/c1-2-24-17(9-18(23)26-22)13-5-4-12(8-16(13)21)25-10-11-3-6-14(19)15(20)7-11/h3-8,17H,2,9-10H2,1H3
InChIKeyKWXPKLIVRBZPRW-UHFFFAOYSA-N
MW405.22 g/mol
LogP5.61
Rot. Bonds8

About fluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate

fluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate (PubChem CID 143917773) has the molecular formula C18H16Cl2F2O4 and a molecular weight of 405.22 g/mol. Its IUPAC name is fluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate.

Molecular Properties

Compound Namefluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate
PubChem CID143917773
Molecular FormulaC18H16Cl2F2O4
Molecular Weight405.22 g/mol
Exact Mass404.04
IUPAC Namefluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate
SMILESCCOC(CC(=O)OF)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C18H16Cl2F2O4/c1-2-24-17(9-18(23)26-22)13-5-4-12(8-16(13)21)25-10-11-3-6-14(19)15(20)7-11/h3-8,17H,2,9-10H2,1H3
InChIKeyKWXPKLIVRBZPRW-UHFFFAOYSA-N
XLogP5.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.22
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid
CID 123785109
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718633
(3R)-3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-ethoxypropanoic acid
CID 124564510
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
(3R)-3-[4-[3-(3,4-dichlorophenyl)propoxy]phenyl]-3-ethoxypropanoic acid
CID 124564472
(3S)-3-[4-[3-(3,4-dichlorophenyl)propoxy]phenyl]-3-ethoxypropanoic acid
CID 124564471
2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 63047363
ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate
CID 103037722
methyl 4-[(4-chloro-3-fluorophenoxy)methyl]-2-fluorobenzoate
CID 106698483
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
1-[4-[(4-ethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107715998

Frequently Asked Questions

What is the IUPAC name of fluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate?
The IUPAC name of fluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate (CID 143917773) is fluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate.
What is the SMILES notation for fluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate?
The canonical SMILES for fluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate is CCOC(CC(=O)OF)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1F.
What is the InChIKey of fluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate?
The InChIKey is KWXPKLIVRBZPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F2O4/c1-2-24-17(9-18(23)26-22)13-5-4-12(8-16(13)21)25-10-11-3-6-14(19)15(20)7-11/h3-8,17H,2,9-10H2,1H3.
What are the key properties of fluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate?
fluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate has a molecular weight of 405.22 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-ethoxypropanoate is sourced from PubChem (CID 143917773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).