(2-dimethoxyphosphoryl-4-fluorophenyl)methyl N-tert-butylcarbamate

C14H21FNO5P — CID 174556783

IUPAC(2-dimethoxyphosphoryl-4-fluorophenyl)methyl N-tert-butylcarbamate
SMILESCOP(=O)(OC)c1cc(F)ccc1COC(=O)NC(C)(C)C
InChIInChI=1S/C14H21FNO5P/c1-14(2,3)16-13(17)21-9-10-6-7-11(15)8-12(10)22(18,19-4)20-5/h6-8H,9H2,1-5H3,(H,16,17)
InChIKeyLBMSATYHJJPLRZ-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.96
Rot. Bonds5

About (2-dimethoxyphosphoryl-4-fluorophenyl)methyl N-tert-butylcarbamate

(2-dimethoxyphosphoryl-4-fluorophenyl)methyl N-tert-butylcarbamate (PubChem CID 174556783) has the molecular formula C14H21FNO5P and a molecular weight of 333.30 g/mol. Its IUPAC name is (2-dimethoxyphosphoryl-4-fluorophenyl)methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name(2-dimethoxyphosphoryl-4-fluorophenyl)methyl N-tert-butylcarbamate
PubChem CID174556783
Molecular FormulaC14H21FNO5P
Molecular Weight333.30 g/mol
Exact Mass333.11
IUPAC Name(2-dimethoxyphosphoryl-4-fluorophenyl)methyl N-tert-butylcarbamate
SMILESCOP(=O)(OC)c1cc(F)ccc1COC(=O)NC(C)(C)C
InChIInChI=1S/C14H21FNO5P/c1-14(2,3)16-13(17)21-9-10-6-7-11(15)8-12(10)22(18,19-4)20-5/h6-8H,9H2,1-5H3,(H,16,17)
InChIKeyLBMSATYHJJPLRZ-UHFFFAOYSA-N
XLogP2.96
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-4-(hydroxymethyl)phenyl]methyl N-tert-butylcarbamate
CID 174615925
bis[(2-tert-butyl-4-fluorophenyl)methyl] carbonate
CID 142757678
(3-bromo-2-methoxyphenyl)methyl N-tert-butylcarbamate
CID 170157678
(5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate
CID 175282842
N-tert-butyl-5-fluoro-2-(2,2,2-trifluoroethyl)benzamide
CID 138963598
[(2S)-2-(5-fluoro-2-formylphenoxy)propyl] N-tert-butylcarbamate
CID 175166106
2-amino-N-tert-butyl-5-fluorobenzamide
CID 43132548
pyridin-4-ylmethyl N-tert-butylcarbamate
CID 59402004
2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide
CID 16772032
tert-butyl 2-(tert-butylcarbamoyloxymethyl)-5-cyanobenzoate
CID 176722790
(4-amino-3-fluoro-5-iodophenyl)methyl N-tert-butylcarbamate
CID 174555482
methyl 2-(2-amino-4-fluorophenyl)acetate
CID 54072159

Frequently Asked Questions

What is the IUPAC name of (2-dimethoxyphosphoryl-4-fluorophenyl)methyl N-tert-butylcarbamate?
The IUPAC name of (2-dimethoxyphosphoryl-4-fluorophenyl)methyl N-tert-butylcarbamate (CID 174556783) is (2-dimethoxyphosphoryl-4-fluorophenyl)methyl N-tert-butylcarbamate.
What is the SMILES notation for (2-dimethoxyphosphoryl-4-fluorophenyl)methyl N-tert-butylcarbamate?
The canonical SMILES for (2-dimethoxyphosphoryl-4-fluorophenyl)methyl N-tert-butylcarbamate is COP(=O)(OC)c1cc(F)ccc1COC(=O)NC(C)(C)C.
What is the InChIKey of (2-dimethoxyphosphoryl-4-fluorophenyl)methyl N-tert-butylcarbamate?
The InChIKey is LBMSATYHJJPLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FNO5P/c1-14(2,3)16-13(17)21-9-10-6-7-11(15)8-12(10)22(18,19-4)20-5/h6-8H,9H2,1-5H3,(H,16,17).
What are the key properties of (2-dimethoxyphosphoryl-4-fluorophenyl)methyl N-tert-butylcarbamate?
(2-dimethoxyphosphoryl-4-fluorophenyl)methyl N-tert-butylcarbamate has a molecular weight of 333.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dimethoxyphosphoryl-4-fluorophenyl)methyl N-tert-butylcarbamate is sourced from PubChem (CID 174556783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).