tert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate

C14H18FNO4 — CID 84812678

IUPACtert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate
SMILESCOc1c(C)cc(NC(=O)OC(C)(C)C)c(F)c1C=O
InChIInChI=1S/C14H18FNO4/c1-8-6-10(16-13(18)20-14(2,3)4)11(15)9(7-17)12(8)19-5/h6-7H,1-5H3,(H,16,18)
InChIKeySVEMGDOEMFLPEQ-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.30
Rot. Bonds3

About tert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate

tert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate (PubChem CID 84812678) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate
PubChem CID84812678
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Nametert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate
SMILESCOc1c(C)cc(NC(=O)OC(C)(C)C)c(F)c1C=O
InChIInChI=1S/C14H18FNO4/c1-8-6-10(16-13(18)20-14(2,3)4)11(15)9(7-17)12(8)19-5/h6-7H,1-5H3,(H,16,18)
InChIKeySVEMGDOEMFLPEQ-UHFFFAOYSA-N
XLogP3.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-fluoro-3-formyl-4-methoxyphenyl)carbamate
CID 84808640
tert-butyl N-(2-formyl-3,5-dimethylphenyl)carbamate
CID 84803743
tert-butyl N-(5-fluoro-3-formyl-2-hydroxy-4-methylphenyl)carbamate
CID 84808638
tert-butyl N-(2-fluoro-5-formyl-3,4-dihydroxyphenyl)carbamate
CID 84809357
tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate
CID 67813213
tert-butyl N-(2,3,5-trifluoro-4-methylphenyl)carbamate
CID 170026832
tert-butyl N-(2-formyl-3-hydroxy-5-methylphenyl)carbamate
CID 84804043
tert-butyl N-(2,5-difluoro-4-formylphenyl)carbamate
CID 84805525
tert-butyl N-(5-bromo-2,3-difluoro-4-methylphenyl)carbamate
CID 169077590
tert-butyl N-(3-fluoro-5-formyl-2,4-dihydroxyphenyl)carbamate
CID 84809356
tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate
CID 84807209
tert-butyl N-(5-bromo-4-fluoro-2-formylphenyl)carbamate
CID 163399231

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate (CID 84812678) is tert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate is COc1c(C)cc(NC(=O)OC(C)(C)C)c(F)c1C=O.
What is the InChIKey of tert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate?
The InChIKey is SVEMGDOEMFLPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-8-6-10(16-13(18)20-14(2,3)4)11(15)9(7-17)12(8)19-5/h6-7H,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate?
tert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate has a molecular weight of 283.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoro-3-formyl-4-methoxy-5-methylphenyl)carbamate is sourced from PubChem (CID 84812678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).