2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate

C11H14FNO4 — CID 13298348

IUPAC2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate
SMILESCOc1cc(NC(=O)OCCF)cc(OC)c1
InChIInChI=1S/C11H14FNO4/c1-15-9-5-8(6-10(7-9)16-2)13-11(14)17-4-3-12/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyAQWJPLLABSQUGS-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.22
Rot. Bonds5

About 2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate

2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate (PubChem CID 13298348) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate
PubChem CID13298348
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate
SMILESCOc1cc(NC(=O)OCCF)cc(OC)c1
InChIInChI=1S/C11H14FNO4/c1-15-9-5-8(6-10(7-9)16-2)13-11(14)17-4-3-12/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyAQWJPLLABSQUGS-UHFFFAOYSA-N
XLogP2.22
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate
CID 134090517
2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate
CID 121003503
2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 79464071
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
CID 82859669
2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 79346258
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 885871
2-methoxyethyl N-(3,5-diaminophenyl)carbamate
CID 151276673
2-chloroethyl N-(4-methoxyphenyl)carbamate
CID 4190237
1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80588722
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 23996290

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate?
The IUPAC name of 2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate (CID 13298348) is 2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate.
What is the SMILES notation for 2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate?
The canonical SMILES for 2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate is COc1cc(NC(=O)OCCF)cc(OC)c1.
What is the InChIKey of 2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate?
The InChIKey is AQWJPLLABSQUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-15-9-5-8(6-10(7-9)16-2)13-11(14)17-4-3-12/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate?
2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate has a molecular weight of 243.23 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate is sourced from PubChem (CID 13298348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).