1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate

C20H22F2O4 — CID 142299104

IUPAC1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate
SMILESCCC(=O)OC(C)C(c1cc(F)ccc1OC)c1cc(F)ccc1OC
InChIInChI=1S/C20H22F2O4/c1-5-19(23)26-12(2)20(15-10-13(21)6-8-17(15)24-3)16-11-14(22)7-9-18(16)25-4/h6-12,20H,5H2,1-4H3
InChIKeyNENBFFOYLQWFNA-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.46
Rot. Bonds7

About 1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate

1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate (PubChem CID 142299104) has the molecular formula C20H22F2O4 and a molecular weight of 364.39 g/mol. Its IUPAC name is 1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate.

Molecular Properties

Compound Name1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate
PubChem CID142299104
Molecular FormulaC20H22F2O4
Molecular Weight364.39 g/mol
Exact Mass364.15
IUPAC Name1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate
SMILESCCC(=O)OC(C)C(c1cc(F)ccc1OC)c1cc(F)ccc1OC
InChIInChI=1S/C20H22F2O4/c1-5-19(23)26-12(2)20(15-10-13(21)6-8-17(15)24-3)16-11-14(22)7-9-18(16)25-4/h6-12,20H,5H2,1-4H3
InChIKeyNENBFFOYLQWFNA-UHFFFAOYSA-N
XLogP4.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-bis(2-ethoxy-4-fluorophenyl)propan-2-yl propanoate
CID 170226838
1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate
CID 145114248
1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate
CID 145114351
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one
CID 116940506
ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate
CID 171241430
methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate
CID 115282443
(2,4-difluorophenyl) propanoate
CID 18525986
3-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 82781916

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate?
The IUPAC name of 1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate (CID 142299104) is 1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate.
What is the SMILES notation for 1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate?
The canonical SMILES for 1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate is CCC(=O)OC(C)C(c1cc(F)ccc1OC)c1cc(F)ccc1OC.
What is the InChIKey of 1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate?
The InChIKey is NENBFFOYLQWFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2O4/c1-5-19(23)26-12(2)20(15-10-13(21)6-8-17(15)24-3)16-11-14(22)7-9-18(16)25-4/h6-12,20H,5H2,1-4H3.
What are the key properties of 1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate?
1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate has a molecular weight of 364.39 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate is sourced from PubChem (CID 142299104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).