propan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate

C14H20FNO4 — CID 13454493

IUPACpropan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate
SMILESCCOc1ccc(NC(=O)OC(C)C)c(F)c1OCC
InChIInChI=1S/C14H20FNO4/c1-5-18-11-8-7-10(12(15)13(11)19-6-2)16-14(17)20-9(3)4/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyJHAVSNZRXQHREV-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.58
Rot. Bonds6

About propan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate

propan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate (PubChem CID 13454493) has the molecular formula C14H20FNO4 and a molecular weight of 285.31 g/mol. Its IUPAC name is propan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate
PubChem CID13454493
Molecular FormulaC14H20FNO4
Molecular Weight285.31 g/mol
Exact Mass285.14
IUPAC Namepropan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate
SMILESCCOc1ccc(NC(=O)OC(C)C)c(F)c1OCC
InChIInChI=1S/C14H20FNO4/c1-5-18-11-8-7-10(12(15)13(11)19-6-2)16-14(17)20-9(3)4/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyJHAVSNZRXQHREV-UHFFFAOYSA-N
XLogP3.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate?
The IUPAC name of propan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate (CID 13454493) is propan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate?
The canonical SMILES for propan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate is CCOc1ccc(NC(=O)OC(C)C)c(F)c1OCC.
What is the InChIKey of propan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate?
The InChIKey is JHAVSNZRXQHREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4/c1-5-18-11-8-7-10(12(15)13(11)19-6-2)16-14(17)20-9(3)4/h7-9H,5-6H2,1-4H3,(H,16,17).
What are the key properties of propan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate?
propan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate has a molecular weight of 285.31 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate is sourced from PubChem (CID 13454493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).