tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate

C19H22FNO4 — CID 168526679

IUPACtert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccco3)cc2F)C1
InChIInChI=1S/C19H22FNO4/c1-19(2,3)25-18(22)21-9-8-14(12-21)24-17-7-6-13(11-15(17)20)16-5-4-10-23-16/h4-7,10-11,14H,8-9,12H2,1-3H3
InChIKeyFRVSHYYTIPGCHC-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.47
Rot. Bonds3

About tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate

tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate (PubChem CID 168526679) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate
PubChem CID168526679
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Nametert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccco3)cc2F)C1
InChIInChI=1S/C19H22FNO4/c1-19(2,3)25-18(22)21-9-8-14(12-21)24-17-7-6-13(11-15(17)20)16-5-4-10-23-16/h4-7,10-11,14H,8-9,12H2,1-3H3
InChIKeyFRVSHYYTIPGCHC-UHFFFAOYSA-N
XLogP4.47
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-Furan-2-ylmethyl-phenoxy)-ethyl]-pyrrolidine
CID 10588193
1-[2-(4-Furan-3-ylmethyl-phenoxy)-ethyl]-pyrrolidine
CID 10825997
1-[3-[4-(Furan-2-yl)phenoxy]propyl]piperidine
CID 56678653
(2-Oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate
CID 2356240
tert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 74223052
4-((3-(1-Methylethyl)-2-oxo-5-oxazolidinyl)methoxy)benzaldehyde
CID 46218912
4-({1-[(Tert-butoxy)carbonyl]pyrrolidin-3-yl}oxy)benzoic acid
CID 22709807
benzyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 145962689
(E)-3-(furan-2-yl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-en-1-one
CID 172453871
2-Pyrrolidin-1-ylethyl 5-(3,4-difluorophenyl)furan-2-carboxylate
CID 19830135
3-Fluoro-4-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 21105426
4-(1-Acetylpyrrolidin-3-yl)oxy-3-fluorobenzoic acid
CID 21105434

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate (CID 168526679) is tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccco3)cc2F)C1.
What is the InChIKey of tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate?
The InChIKey is FRVSHYYTIPGCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-19(2,3)25-18(22)21-9-8-14(12-21)24-17-7-6-13(11-15(17)20)16-5-4-10-23-16/h4-7,10-11,14H,8-9,12H2,1-3H3.
What are the key properties of tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate?
tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate has a molecular weight of 347.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 168526679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).