[1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate

C12H16FNO4 — CID 175407152

IUPAC[1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate
SMILESCCC(OCOC)(OC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO4/c1-3-12(17-8-16-2,18-11(14)15)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3,(H2,14,15)
InChIKeyDFOVEQVWDQOCOB-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.10
Rot. Bonds6

About [1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate

[1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate (PubChem CID 175407152) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate
PubChem CID175407152
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name[1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate
SMILESCCC(OCOC)(OC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO4/c1-3-12(17-8-16-2,18-11(14)15)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3,(H2,14,15)
InChIKeyDFOVEQVWDQOCOB-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate 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

[1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate
CID 175407279
[(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate
CID 175517049
[(1R)-1-(2-iodophenyl)-1-(methoxymethoxy)butyl] carbamate
CID 175407046
[1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate
CID 175407056
methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate
CID 62393286
2-(4-fluoroanilino)-2-(4-fluorophenyl)butanamide
CID 60996994
methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate
CID 86811738
2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate
CID 135384943
ethyl 2-(4-fluorophenyl)-2-(propan-2-ylamino)butanoate
CID 60786506
[1-(4-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] carbamate
CID 123829559
3-(4-fluorophenyl)-3-(methoxymethoxy)propanamide
CID 69414023
1-(2-bromo-1,1-dimethoxyethyl)-4-fluorobenzene
CID 135322265

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate?
The IUPAC name of [1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate (CID 175407152) is [1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate.
What is the SMILES notation for [1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate?
The canonical SMILES for [1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate is CCC(OCOC)(OC(N)=O)c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate?
The InChIKey is DFOVEQVWDQOCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4/c1-3-12(17-8-16-2,18-11(14)15)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3,(H2,14,15).
What are the key properties of [1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate?
[1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate has a molecular weight of 257.26 g/mol, XLogP of 2.10, 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)propyl] carbamate is sourced from PubChem (CID 175407152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).