1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate

C20H22F2O4 — CID 145114351

IUPAC1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate
SMILESCCC(=O)OC(C)C(c1ccc(OC)c(F)c1)c1ccc(OC)c(F)c1
InChIInChI=1S/C20H22F2O4/c1-5-19(23)26-12(2)20(13-6-8-17(24-3)15(21)10-13)14-7-9-18(25-4)16(22)11-14/h6-12,20H,5H2,1-4H3
InChIKeyGBQZZVCHAASXSZ-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.46
Rot. Bonds7

About 1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate

1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate (PubChem CID 145114351) has the molecular formula C20H22F2O4 and a molecular weight of 364.39 g/mol. Its IUPAC name is 1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate.

Molecular Properties

Compound Name1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate
PubChem CID145114351
Molecular FormulaC20H22F2O4
Molecular Weight364.39 g/mol
Exact Mass364.15
IUPAC Name1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate
SMILESCCC(=O)OC(C)C(c1ccc(OC)c(F)c1)c1ccc(OC)c(F)c1
InChIInChI=1S/C20H22F2O4/c1-5-19(23)26-12(2)20(13-6-8-17(24-3)15(21)10-13)14-7-9-18(25-4)16(22)11-14/h6-12,20H,5H2,1-4H3
InChIKeyGBQZZVCHAASXSZ-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

[(2S)-1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl] (2S)-2-aminopropanoate
CID 121463819
1,1-bis(5-fluoro-2-methoxyphenyl)propan-2-yl propanoate
CID 142299104
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
diethyl 2-(3-fluoro-4-methoxyphenyl)propanedioate
CID 62795748
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
2-(3-fluoro-4-methoxyphenyl)-3-oxopentanenitrile
CID 82114447
N-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide
CID 163636130
1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate
CID 145114248
ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate
CID 62941655
1-(3-fluoro-4-methoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65134806
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504
4,4,4-trifluoro-3-(3-fluoro-4-methoxyphenyl)butanoic acid
CID 65101258

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate?
The IUPAC name of 1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate (CID 145114351) is 1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate.
What is the SMILES notation for 1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate?
The canonical SMILES for 1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate is CCC(=O)OC(C)C(c1ccc(OC)c(F)c1)c1ccc(OC)c(F)c1.
What is the InChIKey of 1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate?
The InChIKey is GBQZZVCHAASXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2O4/c1-5-19(23)26-12(2)20(13-6-8-17(24-3)15(21)10-13)14-7-9-18(25-4)16(22)11-14/h6-12,20H,5H2,1-4H3.
What are the key properties of 1,1-bis(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate?
1,1-bis(3-fluoro-4-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(3-fluoro-4-methoxyphenyl)propan-2-yl propanoate is sourced from PubChem (CID 145114351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).