tert-butyl N-[[4-(2-fluoroethoxy)-2-methoxyphenyl]methyl]carbamate

C15H22FNO4 — CID 86619060

IUPACtert-butyl N-[[4-(2-fluoroethoxy)-2-methoxyphenyl]methyl]carbamate
SMILESCOc1cc(OCCF)ccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H22FNO4/c1-15(2,3)21-14(18)17-10-11-5-6-12(20-8-7-16)9-13(11)19-4/h5-6,9H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyRFNACFSTPMVPDQ-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.07
Rot. Bonds6

About tert-butyl N-[[4-(2-fluoroethoxy)-2-methoxyphenyl]methyl]carbamate

tert-butyl N-[[4-(2-fluoroethoxy)-2-methoxyphenyl]methyl]carbamate (PubChem CID 86619060) has the molecular formula C15H22FNO4 and a molecular weight of 299.34 g/mol. Its IUPAC name is tert-butyl N-[[4-(2-fluoroethoxy)-2-methoxyphenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(2-fluoroethoxy)-2-methoxyphenyl]methyl]carbamate
PubChem CID86619060
Molecular FormulaC15H22FNO4
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Nametert-butyl N-[[4-(2-fluoroethoxy)-2-methoxyphenyl]methyl]carbamate
SMILESCOc1cc(OCCF)ccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H22FNO4/c1-15(2,3)21-14(18)17-10-11-5-6-12(20-8-7-16)9-13(11)19-4/h5-6,9H,7-8,10H2,1-4H3,(H,17,18)
InChIKeyRFNACFSTPMVPDQ-UHFFFAOYSA-N
XLogP3.07
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(2-fluoroethoxy)-2-methoxyphenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(2-fluoroethoxy)-2-methoxyphenyl]methyl]carbamate (CID 86619060) is tert-butyl N-[[4-(2-fluoroethoxy)-2-methoxyphenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(2-fluoroethoxy)-2-methoxyphenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(2-fluoroethoxy)-2-methoxyphenyl]methyl]carbamate is COc1cc(OCCF)ccc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[4-(2-fluoroethoxy)-2-methoxyphenyl]methyl]carbamate?
The InChIKey is RFNACFSTPMVPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO4/c1-15(2,3)21-14(18)17-10-11-5-6-12(20-8-7-16)9-13(11)19-4/h5-6,9H,7-8,10H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[[4-(2-fluoroethoxy)-2-methoxyphenyl]methyl]carbamate?
tert-butyl N-[[4-(2-fluoroethoxy)-2-methoxyphenyl]methyl]carbamate has a molecular weight of 299.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(2-fluoroethoxy)-2-methoxyphenyl]methyl]carbamate is sourced from PubChem (CID 86619060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).