[1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate

C11H14FNO4 — CID 175407056

IUPAC[1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate
SMILESCOCOC(C)(OC(N)=O)c1ccccc1F
InChIInChI=1S/C11H14FNO4/c1-11(16-7-15-2,17-10(13)14)8-5-3-4-6-9(8)12/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyUYWHBPDRZMOPRR-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.71
Rot. Bonds5

About [1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate

[1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate (PubChem CID 175407056) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate
PubChem CID175407056
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name[1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate
SMILESCOCOC(C)(OC(N)=O)c1ccccc1F
InChIInChI=1S/C11H14FNO4/c1-11(16-7-15-2,17-10(13)14)8-5-3-4-6-9(8)12/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyUYWHBPDRZMOPRR-UHFFFAOYSA-N
XLogP1.71
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.71
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

[(3S)-3-(2-fluorophenyl)-5-methoxy-2-methylpentan-2-yl] carbamate
CID 174774354
[(1R)-1-(2-iodophenyl)-1-(methoxymethoxy)butyl] carbamate
CID 175407046
[1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid
CID 135373909
(3S)-3-amino-3-(2-fluorophenyl)butan-2-one
CID 122592093
[1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate
CID 175407152
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
2-(aminomethyl)-2-(2-fluorophenyl)-4-methoxybutanoic acid
CID 106490625
(2R)-2-(2-fluorophenyl)-2-methoxypropan-1-amine
CID 96681773
methyl (3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 126734031
(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
CID 55255014
methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate
CID 105492147
(1-fluoro-1-pyridin-2-ylethyl) carbamate
CID 66697846

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate?
The IUPAC name of [1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate (CID 175407056) is [1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate.
What is the SMILES notation for [1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate?
The canonical SMILES for [1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate is COCOC(C)(OC(N)=O)c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate?
The InChIKey is UYWHBPDRZMOPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-11(16-7-15-2,17-10(13)14)8-5-3-4-6-9(8)12/h3-6H,7H2,1-2H3,(H2,13,14).
What are the key properties of [1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate?
[1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate has a molecular weight of 243.23 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate is sourced from PubChem (CID 175407056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).