tert-butyl N-[4-fluoro-4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate

C14H26FNO3 — CID 155347233

IUPACtert-butyl N-[4-fluoro-4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCC(F)(CCO)CC1
InChIInChI=1S/C14H26FNO3/c1-13(2,3)19-12(18)16(4)11-5-7-14(15,8-6-11)9-10-17/h11,17H,5-10H2,1-4H3
InChIKeyJLQRIKSXQIBBAC-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.89
Rot. Bonds3

About tert-butyl N-[4-fluoro-4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate

tert-butyl N-[4-fluoro-4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate (PubChem CID 155347233) has the molecular formula C14H26FNO3 and a molecular weight of 275.36 g/mol. Its IUPAC name is tert-butyl N-[4-fluoro-4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-fluoro-4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate
PubChem CID155347233
Molecular FormulaC14H26FNO3
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Nametert-butyl N-[4-fluoro-4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCC(F)(CCO)CC1
InChIInChI=1S/C14H26FNO3/c1-13(2,3)19-12(18)16(4)11-5-7-14(15,8-6-11)9-10-17/h11,17H,5-10H2,1-4H3
InChIKeyJLQRIKSXQIBBAC-UHFFFAOYSA-N
XLogP2.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-fluoro-4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-fluoro-4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate (CID 155347233) is tert-butyl N-[4-fluoro-4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-fluoro-4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-fluoro-4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCC(F)(CCO)CC1.
What is the InChIKey of tert-butyl N-[4-fluoro-4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate?
The InChIKey is JLQRIKSXQIBBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO3/c1-13(2,3)19-12(18)16(4)11-5-7-14(15,8-6-11)9-10-17/h11,17H,5-10H2,1-4H3.
What are the key properties of tert-butyl N-[4-fluoro-4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate?
tert-butyl N-[4-fluoro-4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate has a molecular weight of 275.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-fluoro-4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 155347233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).