4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane

C9H15F2NO — CID 170592665

IUPAC4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane
SMILESCC.Cc1noc(C)c1C(C)(F)F
InChIInChI=1S/C7H9F2NO.C2H6/c1-4-6(7(3,8)9)5(2)11-10-4;1-2/h1-3H3;1-2H3
InChIKeyHJEMFHDBOXTHSZ-UHFFFAOYSA-N
MW191.22 g/mol
LogP3.43
Rot. Bonds1

About 4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane

4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane (PubChem CID 170592665) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane
PubChem CID170592665
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane
SMILESCC.Cc1noc(C)c1C(C)(F)F
InChIInChI=1S/C7H9F2NO.C2H6/c1-4-6(7(3,8)9)5(2)11-10-4;1-2/h1-3H3;1-2H3
InChIKeyHJEMFHDBOXTHSZ-UHFFFAOYSA-N
XLogP3.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-4-(3-methylpentan-3-yl)-1,2-oxazole
CID 129201550
4-(1,1-difluoro-2-methylbutyl)-3,5-dimethyl-1,2-oxazole
CID 170423990
3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 137470392
3,4,5-trimethyl-1,2-oxazole
CID 25375
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,6-dimethyl-4-pyridinyl)methyl]propan-2-amine
CID 146145226
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 146087492
(3S,4S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963571
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 122240201
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881
butane;ethane;3,4,5-trimethyl-1,2-oxazole
CID 142187309
4-fluoro-5-methyl-3-(trifluoromethyl)-1,2-oxazole
CID 45099348

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane?
The IUPAC name of 4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane (CID 170592665) is 4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane.
What is the SMILES notation for 4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane?
The canonical SMILES for 4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane is CC.Cc1noc(C)c1C(C)(F)F.
What is the InChIKey of 4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane?
The InChIKey is HJEMFHDBOXTHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO.C2H6/c1-4-6(7(3,8)9)5(2)11-10-4;1-2/h1-3H3;1-2H3.
What are the key properties of 4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane?
4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane has a molecular weight of 191.22 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane is sourced from PubChem (CID 170592665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).