3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol

C11H16F2N2O2 — CID 55202978

IUPAC3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol
SMILESOC(Cc1nc(C2CCCCC2)no1)C(F)F
InChIInChI=1S/C11H16F2N2O2/c12-10(13)8(16)6-9-14-11(15-17-9)7-4-2-1-3-5-7/h7-8,10,16H,1-6H2
InChIKeySIGBYQJYUONZBN-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.29
Rot. Bonds4

About 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol

3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol (PubChem CID 55202978) has the molecular formula C11H16F2N2O2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol
PubChem CID55202978
Molecular FormulaC11H16F2N2O2
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol
SMILESOC(Cc1nc(C2CCCCC2)no1)C(F)F
InChIInChI=1S/C11H16F2N2O2/c12-10(13)8(16)6-9-14-11(15-17-9)7-4-2-1-3-5-7/h7-8,10,16H,1-6H2
InChIKeySIGBYQJYUONZBN-UHFFFAOYSA-N
XLogP2.29
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol?
The IUPAC name of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol (CID 55202978) is 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol is OC(Cc1nc(C2CCCCC2)no1)C(F)F.
What is the InChIKey of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol?
The InChIKey is SIGBYQJYUONZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2/c12-10(13)8(16)6-9-14-11(15-17-9)7-4-2-1-3-5-7/h7-8,10,16H,1-6H2.
What are the key properties of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol?
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol has a molecular weight of 246.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 55202978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).