4-(1,1-difluorobutyl)-3,5-dimethyl-1,2-oxazole

C9H13F2NO — CID 170592640

IUPAC4-(1,1-difluorobutyl)-3,5-dimethyl-1,2-oxazole
SMILESCCCC(F)(F)c1c(C)noc1C
InChIInChI=1S/C9H13F2NO/c1-4-5-9(10,11)8-6(2)12-13-7(8)3/h4-5H2,1-3H3
InChIKeyDDGZIWSKYUFIQT-UHFFFAOYSA-N
MW189.20 g/mol
LogP3.18
Rot. Bonds3

About 4-(1,1-difluorobutyl)-3,5-dimethyl-1,2-oxazole

4-(1,1-difluorobutyl)-3,5-dimethyl-1,2-oxazole (PubChem CID 170592640) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 4-(1,1-difluorobutyl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1,1-difluorobutyl)-3,5-dimethyl-1,2-oxazole
PubChem CID170592640
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name4-(1,1-difluorobutyl)-3,5-dimethyl-1,2-oxazole
SMILESCCCC(F)(F)c1c(C)noc1C
InChIInChI=1S/C9H13F2NO/c1-4-5-9(10,11)8-6(2)12-13-7(8)3/h4-5H2,1-3H3
InChIKeyDDGZIWSKYUFIQT-UHFFFAOYSA-N
XLogP3.18
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-Trimethylisoxazole
CID 25375
3-Propyl-6,7-dihydro-5H-benzo[d]isoxazol-4-one oxime
CID 5407249
4-Isoxazolemethanamine, 3,5-diethyl-
CID 71755768
Cyclooct[d]isoxazole, 4,5,8,9-tetrahydro-3-methyl-
CID 4393047
3-(Dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 16394817
4-(Chloromethyl)-3-ethyl-5-methyl-1,2-oxazole
CID 24973884
4-(Bromomethyl)-5-cyclopropyl-3-methyl-1,2-oxazole
CID 59739541
3-Cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde
CID 59739607
4-(Bromomethyl)-3-cyclopropyl-5-methyl-1,2-oxazole
CID 59739617
1-(4,5-Dimethylisoxazol-3-yl)ethanone
CID 71434463
1-(Dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 71757345
5-(Difluoromethyl)-3,4-dimethyl-1,2-oxazole
CID 90397373

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluorobutyl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(1,1-difluorobutyl)-3,5-dimethyl-1,2-oxazole (CID 170592640) is 4-(1,1-difluorobutyl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(1,1-difluorobutyl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(1,1-difluorobutyl)-3,5-dimethyl-1,2-oxazole is CCCC(F)(F)c1c(C)noc1C.
What is the InChIKey of 4-(1,1-difluorobutyl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is DDGZIWSKYUFIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-4-5-9(10,11)8-6(2)12-13-7(8)3/h4-5H2,1-3H3.
What are the key properties of 4-(1,1-difluorobutyl)-3,5-dimethyl-1,2-oxazole?
4-(1,1-difluorobutyl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 189.20 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluorobutyl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 170592640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).