1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

C9H14F2N2O2S — CID 65133379

IUPAC1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(C)SCc1noc(CC(O)C(F)F)n1
InChIInChI=1S/C9H14F2N2O2S/c1-5(2)16-4-7-12-8(15-13-7)3-6(14)9(10)11/h5-6,9,14H,3-4H2,1-2H3
InChIKeyGFWQTWPBGOYUTK-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.88
Rot. Bonds6

About 1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 65133379) has the molecular formula C9H14F2N2O2S and a molecular weight of 252.29 g/mol. Its IUPAC name is 1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID65133379
Molecular FormulaC9H14F2N2O2S
Molecular Weight252.29 g/mol
Exact Mass252.07
IUPAC Name1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(C)SCc1noc(CC(O)C(F)F)n1
InChIInChI=1S/C9H14F2N2O2S/c1-5(2)16-4-7-12-8(15-13-7)3-6(14)9(10)11/h5-6,9,14H,3-4H2,1-2H3
InChIKeyGFWQTWPBGOYUTK-UHFFFAOYSA-N
XLogP1.88
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol with MolForge

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Related Compounds

1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65141559
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 115347282
2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 65134331
2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072858
1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 65093584
5-(3-chloropropyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134539
3-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65133331
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65141561
2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483458
1-phenyl-2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 65133896
(1R)-2-methyl-1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104901635
1,1,1-trifluoro-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63346056

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 65133379) is 1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is CC(C)SCc1noc(CC(O)C(F)F)n1.
What is the InChIKey of 1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is GFWQTWPBGOYUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2S/c1-5(2)16-4-7-12-8(15-13-7)3-6(14)9(10)11/h5-6,9,14H,3-4H2,1-2H3.
What are the key properties of 1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 252.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 65133379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).