1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one

C16H13F5N2O2 — CID 158108713

IUPAC1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one
SMILESO=C(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)CC1CC(F)(F)C1
InChIInChI=1S/C16H13F5N2O2/c17-15(18)7-10(8-15)6-12(24)5-9-1-3-11(4-2-9)13-22-14(25-23-13)16(19,20)21/h1-4,10H,5-8H2
InChIKeyFQDRNYXWZRERON-UHFFFAOYSA-N
MW360.28 g/mol
LogP4.30
Rot. Bonds5

About 1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one

1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one (PubChem CID 158108713) has the molecular formula C16H13F5N2O2 and a molecular weight of 360.28 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one
PubChem CID158108713
Molecular FormulaC16H13F5N2O2
Molecular Weight360.28 g/mol
Exact Mass360.09
IUPAC Name1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one
SMILESO=C(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)CC1CC(F)(F)C1
InChIInChI=1S/C16H13F5N2O2/c17-15(18)7-10(8-15)6-12(24)5-9-1-3-11(4-2-9)13-22-14(25-23-13)16(19,20)21/h1-4,10H,5-8H2
InChIKeyFQDRNYXWZRERON-UHFFFAOYSA-N
XLogP4.30
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-difluorocyclopropyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one
CID 157360628
2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetic acid
CID 71230879
N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71557005
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71230676
4-piperidin-1-yl-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-2-one
CID 159688802
N-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71550949
N-cyclopropyl-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
CID 155768569
N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 155768249
1-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropane-1-carboxamide
CID 134366998
3-(oxetan-3-yl)-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propane-1,2-dione
CID 157253220
3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentane-2,4-dione
CID 137412256
N-cyclopropyl-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768332

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one (CID 158108713) is 1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one is O=C(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)CC1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one?
The InChIKey is FQDRNYXWZRERON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N2O2/c17-15(18)7-10(8-15)6-12(24)5-9-1-3-11(4-2-9)13-22-14(25-23-13)16(19,20)21/h1-4,10H,5-8H2.
What are the key properties of 1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one?
1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one has a molecular weight of 360.28 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propan-2-one is sourced from PubChem (CID 158108713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).