3-[4-(difluoromethoxy)cyclohexyl]-1,2-oxazolidine

C10H17F2NO2 — CID 154607776

IUPAC3-[4-(difluoromethoxy)cyclohexyl]-1,2-oxazolidine
SMILESFC(F)OC1CCC(C2CCON2)CC1
InChIInChI=1S/C10H17F2NO2/c11-10(12)15-8-3-1-7(2-4-8)9-5-6-14-13-9/h7-10,13H,1-6H2
InChIKeyCFOZFOKXFAXVQI-UHFFFAOYSA-N
MW221.25 g/mol
LogP2.08
Rot. Bonds3

About 3-[4-(difluoromethoxy)cyclohexyl]-1,2-oxazolidine

3-[4-(difluoromethoxy)cyclohexyl]-1,2-oxazolidine (PubChem CID 154607776) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)cyclohexyl]-1,2-oxazolidine.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)cyclohexyl]-1,2-oxazolidine
PubChem CID154607776
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name3-[4-(difluoromethoxy)cyclohexyl]-1,2-oxazolidine
SMILESFC(F)OC1CCC(C2CCON2)CC1
InChIInChI=1S/C10H17F2NO2/c11-10(12)15-8-3-1-7(2-4-8)9-5-6-14-13-9/h7-10,13H,1-6H2
InChIKeyCFOZFOKXFAXVQI-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)cyclohexyl]-1,2-oxazolidine?
The IUPAC name of 3-[4-(difluoromethoxy)cyclohexyl]-1,2-oxazolidine (CID 154607776) is 3-[4-(difluoromethoxy)cyclohexyl]-1,2-oxazolidine.
What is the SMILES notation for 3-[4-(difluoromethoxy)cyclohexyl]-1,2-oxazolidine?
The canonical SMILES for 3-[4-(difluoromethoxy)cyclohexyl]-1,2-oxazolidine is FC(F)OC1CCC(C2CCON2)CC1.
What is the InChIKey of 3-[4-(difluoromethoxy)cyclohexyl]-1,2-oxazolidine?
The InChIKey is CFOZFOKXFAXVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c11-10(12)15-8-3-1-7(2-4-8)9-5-6-14-13-9/h7-10,13H,1-6H2.
What are the key properties of 3-[4-(difluoromethoxy)cyclohexyl]-1,2-oxazolidine?
3-[4-(difluoromethoxy)cyclohexyl]-1,2-oxazolidine has a molecular weight of 221.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)cyclohexyl]-1,2-oxazolidine is sourced from PubChem (CID 154607776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).