2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate

C14H26FNO2 — CID 58534627

IUPAC2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate
SMILESCCC1(C)CC(NC(=O)OCCF)CC(C)(C)C1
InChIInChI=1S/C14H26FNO2/c1-5-14(4)9-11(8-13(2,3)10-14)16-12(17)18-7-6-15/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeySVYIKKMQFWEGKO-UHFFFAOYSA-N
MW259.36 g/mol
LogP3.68
Rot. Bonds4

About 2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate

2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate (PubChem CID 58534627) has the molecular formula C14H26FNO2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate
PubChem CID58534627
Molecular FormulaC14H26FNO2
Molecular Weight259.36 g/mol
Exact Mass259.19
IUPAC Name2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate
SMILESCCC1(C)CC(NC(=O)OCCF)CC(C)(C)C1
InChIInChI=1S/C14H26FNO2/c1-5-14(4)9-11(8-13(2,3)10-14)16-12(17)18-7-6-15/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeySVYIKKMQFWEGKO-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate 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 2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate?
The IUPAC name of 2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate (CID 58534627) is 2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate.
What is the SMILES notation for 2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate?
The canonical SMILES for 2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate is CCC1(C)CC(NC(=O)OCCF)CC(C)(C)C1.
What is the InChIKey of 2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate?
The InChIKey is SVYIKKMQFWEGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO2/c1-5-14(4)9-11(8-13(2,3)10-14)16-12(17)18-7-6-15/h11H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate?
2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate has a molecular weight of 259.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate is sourced from PubChem (CID 58534627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).