5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one

C11H9F2NO2 — CID 116841733

IUPAC5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)C3CC3)ccc2o1
InChIInChI=1S/C11H9F2NO2/c12-11(13,6-1-2-6)7-3-4-9-8(5-7)14-10(15)16-9/h3-6H,1-2H2,(H,14,15)
InChIKeyGDHNSUYPAVXDNV-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.62
Rot. Bonds2

About 5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one

5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 116841733) has the molecular formula C11H9F2NO2 and a molecular weight of 225.19 g/mol. Its IUPAC name is 5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID116841733
Molecular FormulaC11H9F2NO2
Molecular Weight225.19 g/mol
Exact Mass225.06
IUPAC Name5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)C3CC3)ccc2o1
InChIInChI=1S/C11H9F2NO2/c12-11(13,6-1-2-6)7-3-4-9-8(5-7)14-10(15)16-9/h3-6H,1-2H2,(H,14,15)
InChIKeyGDHNSUYPAVXDNV-UHFFFAOYSA-N
XLogP2.62
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-amino-1,1-difluoro-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 116839450
5-(2-hydroxypropan-2-yl)-3H-1,3-benzoxazol-2-one
CID 117283453
N-cyclopropyl-2,2,2-trifluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 58005534
4,4-difluoro-4-(2-oxo-3H-1,3-benzoxazol-5-yl)butanenitrile
CID 116840936
5-[3-(trifluoromethyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one
CID 116875894
6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole
CID 116841726
6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole
CID 116841727
5-amino-3H-1,3-benzoxazol-2-one
CID 26856
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
N',2-dimethyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)propanehydrazide
CID 116847217
5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one
CID 116871347
5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole
CID 116841652

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one (CID 116841733) is 5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(C(F)(F)C3CC3)ccc2o1.
What is the InChIKey of 5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is GDHNSUYPAVXDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2/c12-11(13,6-1-2-6)7-3-4-9-8(5-7)14-10(15)16-9/h3-6H,1-2H2,(H,14,15).
What are the key properties of 5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one?
5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 225.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116841733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).