tert-butyl (2S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yl-2,3-dihydrofuran-5-carboxylate

C20H26F2O4 — CID 175542242

IUPACtert-butyl (2S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yl-2,3-dihydrofuran-5-carboxylate
SMILESCOc1c(C2=C(C(=O)OC(C)(C)C)O[C@@H](C(C)C)C2C)ccc(F)c1F
InChIInChI=1S/C20H26F2O4/c1-10(2)16-11(3)14(18(25-16)19(23)26-20(4,5)6)12-8-9-13(21)15(22)17(12)24-7/h8-11,16H,1-7H3/t11?,16-/m0/s1
InChIKeyJYBRTHFLMNQMJL-NBFOKTCDSA-N
MW368.42 g/mol
LogP4.72
Rot. Bonds4

About tert-butyl (2S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yl-2,3-dihydrofuran-5-carboxylate

tert-butyl (2S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yl-2,3-dihydrofuran-5-carboxylate (PubChem CID 175542242) has the molecular formula C20H26F2O4 and a molecular weight of 368.42 g/mol. Its IUPAC name is tert-butyl (2S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yl-2,3-dihydrofuran-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yl-2,3-dihydrofuran-5-carboxylate
PubChem CID175542242
Molecular FormulaC20H26F2O4
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Nametert-butyl (2S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yl-2,3-dihydrofuran-5-carboxylate
SMILESCOc1c(C2=C(C(=O)OC(C)(C)C)O[C@@H](C(C)C)C2C)ccc(F)c1F
InChIInChI=1S/C20H26F2O4/c1-10(2)16-11(3)14(18(25-16)19(23)26-20(4,5)6)12-8-9-13(21)15(22)17(12)24-7/h8-11,16H,1-7H3/t11?,16-/m0/s1
InChIKeyJYBRTHFLMNQMJL-NBFOKTCDSA-N
XLogP4.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yl-2,3-dihydrofuran-5-carboxylate?
The IUPAC name of tert-butyl (2S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yl-2,3-dihydrofuran-5-carboxylate (CID 175542242) is tert-butyl (2S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yl-2,3-dihydrofuran-5-carboxylate.
What is the SMILES notation for tert-butyl (2S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yl-2,3-dihydrofuran-5-carboxylate?
The canonical SMILES for tert-butyl (2S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yl-2,3-dihydrofuran-5-carboxylate is COc1c(C2=C(C(=O)OC(C)(C)C)O[C@@H](C(C)C)C2C)ccc(F)c1F.
What is the InChIKey of tert-butyl (2S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yl-2,3-dihydrofuran-5-carboxylate?
The InChIKey is JYBRTHFLMNQMJL-NBFOKTCDSA-N. The full InChI is InChI=1S/C20H26F2O4/c1-10(2)16-11(3)14(18(25-16)19(23)26-20(4,5)6)12-8-9-13(21)15(22)17(12)24-7/h8-11,16H,1-7H3/t11?,16-/m0/s1.
What are the key properties of tert-butyl (2S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yl-2,3-dihydrofuran-5-carboxylate?
tert-butyl (2S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yl-2,3-dihydrofuran-5-carboxylate has a molecular weight of 368.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yl-2,3-dihydrofuran-5-carboxylate is sourced from PubChem (CID 175542242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).