[1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate

C12H16FNO4 — CID 123829559

IUPAC[1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate
SMILESCOCOC(c1ccc(F)cc1)C(C)OC(N)=O
InChIInChI=1S/C12H16FNO4/c1-8(18-12(14)15)11(17-7-16-2)9-3-5-10(13)6-4-9/h3-6,8,11H,7H2,1-2H3,(H2,14,15)
InChIKeyZNUHWWMEZHFDPA-UHFFFAOYSA-N
MW257.26 g/mol
LogP1.97
Rot. Bonds6

About [1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate

[1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate (PubChem CID 123829559) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate
PubChem CID123829559
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name[1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate
SMILESCOCOC(c1ccc(F)cc1)C(C)OC(N)=O
InChIInChI=1S/C12H16FNO4/c1-8(18-12(14)15)11(17-7-16-2)9-3-5-10(13)6-4-9/h3-6,8,11H,7H2,1-2H3,(H2,14,15)
InChIKeyZNUHWWMEZHFDPA-UHFFFAOYSA-N
XLogP1.97
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-3-(methoxymethoxy)propanamide
CID 69414023
[1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate
CID 123475451
[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] 3-methylbutanoate
CID 158510765
[3-carbamoyloxy-2-(4-fluorophenyl)propyl] carbamate
CID 10332621
3-(4-fluorophenyl)-3-methoxypropanamide
CID 69418867
methyl 2-(4-fluorophenyl)-3-methoxypropanoate
CID 117245338
methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
CID 60677237
1-(4-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401203
1-(4-fluorophenyl)ethyl 2-methylbutanoate
CID 174934035
[(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate
CID 153458907
1-(4-fluorophenyl)ethyl acetate
CID 11286838
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate?
The IUPAC name of [1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate (CID 123829559) is [1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate.
What is the SMILES notation for [1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate?
The canonical SMILES for [1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate is COCOC(c1ccc(F)cc1)C(C)OC(N)=O.
What is the InChIKey of [1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate?
The InChIKey is ZNUHWWMEZHFDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4/c1-8(18-12(14)15)11(17-7-16-2)9-3-5-10(13)6-4-9/h3-6,8,11H,7H2,1-2H3,(H2,14,15).
What are the key properties of [1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate?
[1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate has a molecular weight of 257.26 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate is sourced from PubChem (CID 123829559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).