tert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid

C9H18FNO3 — CID 118453590

IUPACtert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid
SMILESCC(C)(C)N(CCOCCF)C(=O)O
InChIInChI=1S/C9H18FNO3/c1-9(2,3)11(8(12)13)5-7-14-6-4-10/h4-7H2,1-3H3,(H,12,13)
InChIKeySLOSPHJJICQWMQ-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.75
Rot. Bonds5

About tert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid

tert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid (PubChem CID 118453590) has the molecular formula C9H18FNO3 and a molecular weight of 207.24 g/mol. Its IUPAC name is tert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid
PubChem CID118453590
Molecular FormulaC9H18FNO3
Molecular Weight207.24 g/mol
Exact Mass207.13
IUPAC Nametert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid
SMILESCC(C)(C)N(CCOCCF)C(=O)O
InChIInChI=1S/C9H18FNO3/c1-9(2,3)11(8(12)13)5-7-14-6-4-10/h4-7H2,1-3H3,(H,12,13)
InChIKeySLOSPHJJICQWMQ-UHFFFAOYSA-N
XLogP1.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid (CID 118453590) is tert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid is CC(C)(C)N(CCOCCF)C(=O)O.
What is the InChIKey of tert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid?
The InChIKey is SLOSPHJJICQWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO3/c1-9(2,3)11(8(12)13)5-7-14-6-4-10/h4-7H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid?
tert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid has a molecular weight of 207.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(2-fluoroethoxy)ethyl]carbamic acid is sourced from PubChem (CID 118453590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).