ethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate

C15H27F2NO3 — CID 157068594

IUPACethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate
SMILESCCOC(=O)N(C1CCC(OCC(F)F)CC1)C(C)(C)C
InChIInChI=1S/C15H27F2NO3/c1-5-20-14(19)18(15(2,3)4)11-6-8-12(9-7-11)21-10-13(16)17/h11-13H,5-10H2,1-4H3
InChIKeyACDXOBOBPDOHSO-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.84
Rot. Bonds5

About ethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate

ethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate (PubChem CID 157068594) has the molecular formula C15H27F2NO3 and a molecular weight of 307.38 g/mol. Its IUPAC name is ethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate.

Molecular Properties

Compound Nameethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate
PubChem CID157068594
Molecular FormulaC15H27F2NO3
Molecular Weight307.38 g/mol
Exact Mass307.20
IUPAC Nameethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate
SMILESCCOC(=O)N(C1CCC(OCC(F)F)CC1)C(C)(C)C
InChIInChI=1S/C15H27F2NO3/c1-5-20-14(19)18(15(2,3)4)11-6-8-12(9-7-11)21-10-13(16)17/h11-13H,5-10H2,1-4H3
InChIKeyACDXOBOBPDOHSO-UHFFFAOYSA-N
XLogP3.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate?
The IUPAC name of ethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate (CID 157068594) is ethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate.
What is the SMILES notation for ethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate?
The canonical SMILES for ethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate is CCOC(=O)N(C1CCC(OCC(F)F)CC1)C(C)(C)C.
What is the InChIKey of ethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate?
The InChIKey is ACDXOBOBPDOHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO3/c1-5-20-14(19)18(15(2,3)4)11-6-8-12(9-7-11)21-10-13(16)17/h11-13H,5-10H2,1-4H3.
What are the key properties of ethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate?
ethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate has a molecular weight of 307.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate is sourced from PubChem (CID 157068594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).