[1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid

C15H22FNO4 — CID 135373909

IUPAC[1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid
SMILESCCC(OCOC)(c1ccccc1F)N(C(=O)O)C(C)C
InChIInChI=1S/C15H22FNO4/c1-5-15(21-10-20-4,17(11(2)3)14(18)19)12-8-6-7-9-13(12)16/h6-9,11H,5,10H2,1-4H3,(H,18,19)
InChIKeyLOPIFJINTGYWCL-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.40
Rot. Bonds7

About [1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid

[1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid (PubChem CID 135373909) has the molecular formula C15H22FNO4 and a molecular weight of 299.34 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid
PubChem CID135373909
Molecular FormulaC15H22FNO4
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name[1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid
SMILESCCC(OCOC)(c1ccccc1F)N(C(=O)O)C(C)C
InChIInChI=1S/C15H22FNO4/c1-5-15(21-10-20-4,17(11(2)3)14(18)19)12-8-6-7-9-13(12)16/h6-9,11H,5,10H2,1-4H3,(H,18,19)
InChIKeyLOPIFJINTGYWCL-UHFFFAOYSA-N
XLogP3.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-iodophenyl)-1-methoxybutyl]-propan-2-ylcarbamic acid
CID 135373931
2-(diethylamino)-2-(2-fluorophenyl)butanoic acid
CID 112679517
[1-(2-fluorophenyl)-1-(methoxymethoxy)ethyl] carbamate
CID 175407056
2-ethoxycarbonyl-2-(2-fluorophenyl)-4-methylpentanoic acid
CID 103974974
methyl 2-anilino-2-(2-fluorophenyl)butanoate
CID 115994470
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate
CID 60796122
4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid
CID 112680317
2-(aminomethyl)-2-(2-fluorophenyl)-4-methoxybutanoic acid
CID 106490625
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
2-[ethyl(propan-2-yl)amino]-2-(2-methylphenyl)propanoic acid
CID 114992783

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid?
The IUPAC name of [1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid (CID 135373909) is [1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid.
What is the SMILES notation for [1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid?
The canonical SMILES for [1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid is CCC(OCOC)(c1ccccc1F)N(C(=O)O)C(C)C.
What is the InChIKey of [1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid?
The InChIKey is LOPIFJINTGYWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO4/c1-5-15(21-10-20-4,17(11(2)3)14(18)19)12-8-6-7-9-13(12)16/h6-9,11H,5,10H2,1-4H3,(H,18,19).
What are the key properties of [1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid?
[1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid has a molecular weight of 299.34 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-1-(methoxymethoxy)propyl]-propan-2-ylcarbamic acid is sourced from PubChem (CID 135373909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).