[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-cyclopropylcarbamate

C15H20FNO4 — CID 123157666

IUPAC[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-cyclopropylcarbamate
SMILESCOCOC(c1ccccc1F)C(C)OC(=O)NC1CC1
InChIInChI=1S/C15H20FNO4/c1-10(21-15(18)17-11-7-8-11)14(20-9-19-2)12-5-3-4-6-13(12)16/h3-6,10-11,14H,7-9H2,1-2H3,(H,17,18)
InChIKeyIIJIYRHLTVNNTI-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.76
Rot. Bonds7

About [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-cyclopropylcarbamate

[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-cyclopropylcarbamate (PubChem CID 123157666) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-cyclopropylcarbamate.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-cyclopropylcarbamate
PubChem CID123157666
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-cyclopropylcarbamate
SMILESCOCOC(c1ccccc1F)C(C)OC(=O)NC1CC1
InChIInChI=1S/C15H20FNO4/c1-10(21-15(18)17-11-7-8-11)14(20-9-19-2)12-5-3-4-6-13(12)16/h3-6,10-11,14H,7-9H2,1-2H3,(H,17,18)
InChIKeyIIJIYRHLTVNNTI-UHFFFAOYSA-N
XLogP2.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.76
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

benzyl N-[2-(methoxymethoxy)ethyl]carbamate
CID 14654468
Phenylmethyl N-((2S)-2-((methoxycarbonyl)amino)propyl)carbamate
CID 91664398
benzyl N-[(2E)-4,4-difluoro-5-(2-methoxyethoxymethoxy)hexa-2,5-dienyl]carbamate
CID 102348564
methyl N-(2-(((benzyloxy)carbonyl)amino)propyl)carbamate
CID 130156746
2,2,2-trifluoro-N-[(E,3R,6S)-2-methyl-6-(phenylmethoxymethoxy)hept-4-en-3-yl]acetamide
CID 10522461
benzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate
CID 134853923
benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate
CID 138980192
benzyl N-(4-fluoro-4-methylpentyl)carbamate
CID 162414958
benzyl N-[(2S)-1-fluoropropan-2-yl]carbamate
CID 165940654
Benzyl cyclopropylcarbamate
CID 13141013
benzyl N-(2,4-dimethylpentan-3-yl)carbamate
CID 59430986
benzyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 60014993

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-cyclopropylcarbamate?
The IUPAC name of [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-cyclopropylcarbamate (CID 123157666) is [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-cyclopropylcarbamate.
What is the SMILES notation for [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-cyclopropylcarbamate?
The canonical SMILES for [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-cyclopropylcarbamate is COCOC(c1ccccc1F)C(C)OC(=O)NC1CC1.
What is the InChIKey of [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-cyclopropylcarbamate?
The InChIKey is IIJIYRHLTVNNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-10(21-15(18)17-11-7-8-11)14(20-9-19-2)12-5-3-4-6-13(12)16/h3-6,10-11,14H,7-9H2,1-2H3,(H,17,18).
What are the key properties of [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-cyclopropylcarbamate?
[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-cyclopropylcarbamate has a molecular weight of 297.33 g/mol, XLogP of 2.76, 7 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)propan-2-yl] N-cyclopropylcarbamate is sourced from PubChem (CID 123157666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).