2-fluoroethyl N-(2-methylbutan-2-yl)carbamate

C8H16FNO2 — CID 118219614

IUPAC2-fluoroethyl N-(2-methylbutan-2-yl)carbamate
SMILESCCC(C)(C)NC(=O)OCCF
InChIInChI=1S/C8H16FNO2/c1-4-8(2,3)10-7(11)12-6-5-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyHXFWXBXCOFEVRV-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.87
Rot. Bonds4

About 2-fluoroethyl N-(2-methylbutan-2-yl)carbamate

2-fluoroethyl N-(2-methylbutan-2-yl)carbamate (PubChem CID 118219614) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 2-fluoroethyl N-(2-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-(2-methylbutan-2-yl)carbamate
PubChem CID118219614
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name2-fluoroethyl N-(2-methylbutan-2-yl)carbamate
SMILESCCC(C)(C)NC(=O)OCCF
InChIInChI=1S/C8H16FNO2/c1-4-8(2,3)10-7(11)12-6-5-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyHXFWXBXCOFEVRV-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-(2-methylbutan-2-yl)carbamate?
The IUPAC name of 2-fluoroethyl N-(2-methylbutan-2-yl)carbamate (CID 118219614) is 2-fluoroethyl N-(2-methylbutan-2-yl)carbamate.
What is the SMILES notation for 2-fluoroethyl N-(2-methylbutan-2-yl)carbamate?
The canonical SMILES for 2-fluoroethyl N-(2-methylbutan-2-yl)carbamate is CCC(C)(C)NC(=O)OCCF.
What is the InChIKey of 2-fluoroethyl N-(2-methylbutan-2-yl)carbamate?
The InChIKey is HXFWXBXCOFEVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-4-8(2,3)10-7(11)12-6-5-9/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-fluoroethyl N-(2-methylbutan-2-yl)carbamate?
2-fluoroethyl N-(2-methylbutan-2-yl)carbamate has a molecular weight of 177.22 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-(2-methylbutan-2-yl)carbamate is sourced from PubChem (CID 118219614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).