4,4-difluoro-1-(1,2-oxazol-5-yl)cyclohexan-1-ol

C9H11F2NO2 — CID 175788019

IUPAC4,4-difluoro-1-(1,2-oxazol-5-yl)cyclohexan-1-ol
SMILESOC1(c2ccno2)CCC(F)(F)CC1
InChIInChI=1S/C9H11F2NO2/c10-9(11)4-2-8(13,3-5-9)7-1-6-12-14-7/h1,6,13H,2-5H2
InChIKeyGUAGLXRCZFFQES-UHFFFAOYSA-N
MW203.19 g/mol
LogP2.07
Rot. Bonds1

About 4,4-difluoro-1-(1,2-oxazol-5-yl)cyclohexan-1-ol

4,4-difluoro-1-(1,2-oxazol-5-yl)cyclohexan-1-ol (PubChem CID 175788019) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 4,4-difluoro-1-(1,2-oxazol-5-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-difluoro-1-(1,2-oxazol-5-yl)cyclohexan-1-ol
PubChem CID175788019
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name4,4-difluoro-1-(1,2-oxazol-5-yl)cyclohexan-1-ol
SMILESOC1(c2ccno2)CCC(F)(F)CC1
InChIInChI=1S/C9H11F2NO2/c10-9(11)4-2-8(13,3-5-9)7-1-6-12-14-7/h1,6,13H,2-5H2
InChIKeyGUAGLXRCZFFQES-UHFFFAOYSA-N
XLogP2.07
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(1,2-oxazol-5-yl)cyclohexan-1-ol?
The IUPAC name of 4,4-difluoro-1-(1,2-oxazol-5-yl)cyclohexan-1-ol (CID 175788019) is 4,4-difluoro-1-(1,2-oxazol-5-yl)cyclohexan-1-ol.
What is the SMILES notation for 4,4-difluoro-1-(1,2-oxazol-5-yl)cyclohexan-1-ol?
The canonical SMILES for 4,4-difluoro-1-(1,2-oxazol-5-yl)cyclohexan-1-ol is OC1(c2ccno2)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(1,2-oxazol-5-yl)cyclohexan-1-ol?
The InChIKey is GUAGLXRCZFFQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c10-9(11)4-2-8(13,3-5-9)7-1-6-12-14-7/h1,6,13H,2-5H2.
What are the key properties of 4,4-difluoro-1-(1,2-oxazol-5-yl)cyclohexan-1-ol?
4,4-difluoro-1-(1,2-oxazol-5-yl)cyclohexan-1-ol has a molecular weight of 203.19 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(1,2-oxazol-5-yl)cyclohexan-1-ol is sourced from PubChem (CID 175788019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).