tert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate

C17H21FO4 — CID 161137630

IUPACtert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@@]1(c2ccccc2F)CCO[C@H]1C=O
InChIInChI=1S/C17H21FO4/c1-16(2,3)22-15(20)10-17(8-9-21-14(17)11-19)12-6-4-5-7-13(12)18/h4-7,11,14H,8-10H2,1-3H3/t14-,17+/m0/s1
InChIKeyMXTXPWSEEYJZQE-WMLDXEAASA-N
MW308.35 g/mol
LogP2.78
Rot. Bonds4

About tert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate

tert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate (PubChem CID 161137630) has the molecular formula C17H21FO4 and a molecular weight of 308.35 g/mol. Its IUPAC name is tert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate
PubChem CID161137630
Molecular FormulaC17H21FO4
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Nametert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@@]1(c2ccccc2F)CCO[C@H]1C=O
InChIInChI=1S/C17H21FO4/c1-16(2,3)22-15(20)10-17(8-9-21-14(17)11-19)12-6-4-5-7-13(12)18/h4-7,11,14H,8-10H2,1-3H3/t14-,17+/m0/s1
InChIKeyMXTXPWSEEYJZQE-WMLDXEAASA-N
XLogP2.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate 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

tert-butyl 2-[(3R,4R,5R)-3-(2-fluorophenyl)-4-(hydroxymethyl)-5-methyloxolan-3-yl]acetate
CID 146693388
tert-butyl N-[3-(2-fluorophenyl)-2-(hydroxymethyl)oxolan-3-yl]carbamate
CID 123503742
tert-butyl 2-[(3R,4S,5R)-4-(2,2-dicyanopropyl)-3-(2,3-difluorophenyl)-5-methyloxolan-3-yl]acetate
CID 157128321
tert-butyl 4-ethyl-4-(2-fluorophenyl)azepane-1-carboxylate
CID 123459614
tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
tert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate
CID 89095567
tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 71623364
tert-butyl N-[(4S)-4-(2-fluorophenyl)-4-methyl-6,7-dihydro-5H-1,3-oxazepin-3-ium-2-yl]-N-methylcarbamate
CID 144615669
4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 45074519
tert-butyl 2-[4-(2-fluorophenyl)piperidin-1-yl]acetate
CID 156798736
2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde
CID 105446072
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate?
The IUPAC name of tert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate (CID 161137630) is tert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate?
The canonical SMILES for tert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate is CC(C)(C)OC(=O)C[C@@]1(c2ccccc2F)CCO[C@H]1C=O.
What is the InChIKey of tert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate?
The InChIKey is MXTXPWSEEYJZQE-WMLDXEAASA-N. The full InChI is InChI=1S/C17H21FO4/c1-16(2,3)22-15(20)10-17(8-9-21-14(17)11-19)12-6-4-5-7-13(12)18/h4-7,11,14H,8-10H2,1-3H3/t14-,17+/m0/s1.
What are the key properties of tert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate?
tert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate has a molecular weight of 308.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate is sourced from PubChem (CID 161137630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).