2-fluoroethyl N-methyl-N-propan-2-ylcarbamate

C7H14FNO2 — CID 89002925

IUPAC2-fluoroethyl N-methyl-N-propan-2-ylcarbamate
SMILESCC(C)N(C)C(=O)OCCF
InChIInChI=1S/C7H14FNO2/c1-6(2)9(3)7(10)11-5-4-8/h6H,4-5H2,1-3H3
InChIKeyRJZGKKWEPHRILC-UHFFFAOYSA-N
MW163.19 g/mol
LogP1.43
Rot. Bonds3

About 2-fluoroethyl N-methyl-N-propan-2-ylcarbamate

2-fluoroethyl N-methyl-N-propan-2-ylcarbamate (PubChem CID 89002925) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 2-fluoroethyl N-methyl-N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-fluoroethyl N-methyl-N-propan-2-ylcarbamate
PubChem CID89002925
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name2-fluoroethyl N-methyl-N-propan-2-ylcarbamate
SMILESCC(C)N(C)C(=O)OCCF
InChIInChI=1S/C7H14FNO2/c1-6(2)9(3)7(10)11-5-4-8/h6H,4-5H2,1-3H3
InChIKeyRJZGKKWEPHRILC-UHFFFAOYSA-N
XLogP1.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-methyl-N-propan-2-ylcarbamate?
The IUPAC name of 2-fluoroethyl N-methyl-N-propan-2-ylcarbamate (CID 89002925) is 2-fluoroethyl N-methyl-N-propan-2-ylcarbamate.
What is the SMILES notation for 2-fluoroethyl N-methyl-N-propan-2-ylcarbamate?
The canonical SMILES for 2-fluoroethyl N-methyl-N-propan-2-ylcarbamate is CC(C)N(C)C(=O)OCCF.
What is the InChIKey of 2-fluoroethyl N-methyl-N-propan-2-ylcarbamate?
The InChIKey is RJZGKKWEPHRILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-6(2)9(3)7(10)11-5-4-8/h6H,4-5H2,1-3H3.
What are the key properties of 2-fluoroethyl N-methyl-N-propan-2-ylcarbamate?
2-fluoroethyl N-methyl-N-propan-2-ylcarbamate has a molecular weight of 163.19 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-methyl-N-propan-2-ylcarbamate is sourced from PubChem (CID 89002925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).