tert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate

C16H24FNO6 — CID 170832651

IUPACtert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate
SMILESCOCOc1ccc(C(O)C(O)CNC(=O)OC(C)(C)C)c(F)c1
InChIInChI=1S/C16H24FNO6/c1-16(2,3)24-15(21)18-8-13(19)14(20)11-6-5-10(7-12(11)17)23-9-22-4/h5-7,13-14,19-20H,8-9H2,1-4H3,(H,18,21)
InChIKeyQHFDFVOZHAVXLL-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.73
Rot. Bonds7

About tert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate

tert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate (PubChem CID 170832651) has the molecular formula C16H24FNO6 and a molecular weight of 345.37 g/mol. Its IUPAC name is tert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate
PubChem CID170832651
Molecular FormulaC16H24FNO6
Molecular Weight345.37 g/mol
Exact Mass345.16
IUPAC Nametert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate
SMILESCOCOc1ccc(C(O)C(O)CNC(=O)OC(C)(C)C)c(F)c1
InChIInChI=1S/C16H24FNO6/c1-16(2,3)24-15(21)18-8-13(19)14(20)11-6-5-10(7-12(11)17)23-9-22-4/h5-7,13-14,19-20H,8-9H2,1-4H3,(H,18,21)
InChIKeyQHFDFVOZHAVXLL-UHFFFAOYSA-N
XLogP1.73
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170834709
tert-butyl N-[3-(4-amino-2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170832195
tert-butyl N-[3-(2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831686
tert-butyl N-[2,3-dihydroxy-3-(2,4,6-trifluorophenyl)propyl]carbamate
CID 170831934
9H-fluoren-9-ylmethyl N-[4-[2-fluoro-4-(methoxymethoxy)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171887169
tert-butyl N-[3-(2-fluoro-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170831836
tert-butyl N-[2,3-dihydroxy-3-(2-methoxy-4-methylphenyl)propyl]carbamate
CID 170832048
2-[3-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-fluorophenyl]acetic acid
CID 170832654
tert-butyl N-[3-(2-amino-5-chloro-3-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170832186
tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833329
tert-butyl N-[3-(3-fluoro-4-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831658
tert-butyl N-[3-(2-fluoro-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831727

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate (CID 170832651) is tert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate is COCOc1ccc(C(O)C(O)CNC(=O)OC(C)(C)C)c(F)c1.
What is the InChIKey of tert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate?
The InChIKey is QHFDFVOZHAVXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO6/c1-16(2,3)24-15(21)18-8-13(19)14(20)11-6-5-10(7-12(11)17)23-9-22-4/h5-7,13-14,19-20H,8-9H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate?
tert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate has a molecular weight of 345.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-fluoro-4-(methoxymethoxy)phenyl]-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170832651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).