6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one

C14H9F2NO3 — CID 61089170

IUPAC6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(C(O)c3c(F)cccc3F)cc2o1
InChIInChI=1S/C14H9F2NO3/c15-8-2-1-3-9(16)12(8)13(18)7-4-5-10-11(6-7)20-14(19)17-10/h1-6,13,18H,(H,17,19)
InChIKeySFUKEALDTFKKNH-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.48
Rot. Bonds2

About 6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one

6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one (PubChem CID 61089170) has the molecular formula C14H9F2NO3 and a molecular weight of 277.23 g/mol. Its IUPAC name is 6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
PubChem CID61089170
Molecular FormulaC14H9F2NO3
Molecular Weight277.23 g/mol
Exact Mass277.06
IUPAC Name6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(C(O)c3c(F)cccc3F)cc2o1
InChIInChI=1S/C14H9F2NO3/c15-8-2-1-3-9(16)12(8)13(18)7-4-5-10-11(6-7)20-14(19)17-10/h1-6,13,18H,(H,17,19)
InChIKeySFUKEALDTFKKNH-UHFFFAOYSA-N
XLogP2.48
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 81477930
6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 61089164
6-[hydroxy(pyridin-4-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 114996939
6-[amino-(3-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43140007
6-(1-bromo-2-oxopropyl)-3H-1,3-benzoxazol-2-one
CID 116859829
6-[(3-bromo-4-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 81475814
6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61089349
6-[amino-(2,6-difluoro-3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 82797093
6-[amino-(4-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43140010
6-[hydroxy-(3-methylfuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61089347
6-[bromo-(2,3,4-trifluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 79756906
6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 106855347

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one (CID 61089170) is 6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(C(O)c3c(F)cccc3F)cc2o1.
What is the InChIKey of 6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is SFUKEALDTFKKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO3/c15-8-2-1-3-9(16)12(8)13(18)7-4-5-10-11(6-7)20-14(19)17-10/h1-6,13,18H,(H,17,19).
What are the key properties of 6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one?
6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 277.23 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 61089170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).