tert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate

C16H20FNO4 — CID 89095567

IUPACtert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@]1(c2ccccc2F)COCC1C=O
InChIInChI=1S/C16H20FNO4/c1-15(2,3)22-14(20)18-16(10-21-9-11(16)8-19)12-6-4-5-7-13(12)17/h4-8,11H,9-10H2,1-3H3,(H,18,20)/t11?,16-/m1/s1
InChIKeyLZOMDTSKDGNRAV-WVQRXBFSSA-N
MW309.34 g/mol
LogP2.39
Rot. Bonds3

About tert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate

tert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate (PubChem CID 89095567) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is tert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate
PubChem CID89095567
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Nametert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@]1(c2ccccc2F)COCC1C=O
InChIInChI=1S/C16H20FNO4/c1-15(2,3)22-14(20)18-16(10-21-9-11(16)8-19)12-6-4-5-7-13(12)17/h4-8,11H,9-10H2,1-3H3,(H,18,20)/t11?,16-/m1/s1
InChIKeyLZOMDTSKDGNRAV-WVQRXBFSSA-N
XLogP2.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(2-fluorophenyl)-4-(hydroxymethyl)oxolan-3-yl]carbamate
CID 77467008
tert-butyl N-[3-(2-fluorophenyl)-2-(hydroxymethyl)oxolan-3-yl]carbamate
CID 123503742
tert-butyl N-[(3S,4R)-3-(2-fluorophenyl)-5-(2-fluoropropan-2-yl)-4-(hydroxymethyl)oxolan-3-yl]carbamate
CID 146414586
tert-butyl N-[(3S,4S)-3-(5-bromo-2-fluorophenyl)-4-formyl-5-methyloxolan-3-yl]carbamate
CID 142342188
(3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid
CID 66868946
tert-butyl N-[(4aS,7aS)-4a-(2-fluorophenyl)-7-(hydroxymethyl)-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-3-yl]carbamate
CID 118553306
tert-butyl N-[(4aS,7aS)-7-(fluoromethyl)-4a-(2-fluorophenyl)-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-3-yl]carbamate
CID 118553303
tert-butyl 2-[(2R,3R)-3-(2-fluorophenyl)-2-formyloxolan-3-yl]acetate
CID 161137630
tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate
CID 171921911
tert-butyl N-[1-(2-chlorophenyl)-2,3-dihydroxycyclopentyl]carbamate
CID 139573264
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 2733195
tert-butyl N-[[2-(2-fluorophenyl)azetidin-2-yl]methyl]carbamate
CID 115059181

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate (CID 89095567) is tert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@]1(c2ccccc2F)COCC1C=O.
What is the InChIKey of tert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate?
The InChIKey is LZOMDTSKDGNRAV-WVQRXBFSSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-15(2,3)22-14(20)18-16(10-21-9-11(16)8-19)12-6-4-5-7-13(12)17/h4-8,11H,9-10H2,1-3H3,(H,18,20)/t11?,16-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate?
tert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate has a molecular weight of 309.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-3-(2-fluorophenyl)-4-formyloxolan-3-yl]carbamate is sourced from PubChem (CID 89095567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).