6-fluoro-7-propan-2-yl-3H-1,3-benzoxazol-2-one

C10H10FNO2 — CID 58878475

IUPAC6-fluoro-7-propan-2-yl-3H-1,3-benzoxazol-2-one
SMILESCC(C)c1c(F)ccc2[nH]c(=O)oc12
InChIInChI=1S/C10H10FNO2/c1-5(2)8-6(11)3-4-7-9(8)14-10(13)12-7/h3-5H,1-2H3,(H,12,13)
InChIKeyZDAIUWOFXWUYSF-UHFFFAOYSA-N
MW195.19 g/mol
LogP2.38
Rot. Bonds1

About 6-fluoro-7-propan-2-yl-3H-1,3-benzoxazol-2-one

6-fluoro-7-propan-2-yl-3H-1,3-benzoxazol-2-one (PubChem CID 58878475) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 6-fluoro-7-propan-2-yl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-fluoro-7-propan-2-yl-3H-1,3-benzoxazol-2-one
PubChem CID58878475
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name6-fluoro-7-propan-2-yl-3H-1,3-benzoxazol-2-one
SMILESCC(C)c1c(F)ccc2[nH]c(=O)oc12
InChIInChI=1S/C10H10FNO2/c1-5(2)8-6(11)3-4-7-9(8)14-10(13)12-7/h3-5H,1-2H3,(H,12,13)
InChIKeyZDAIUWOFXWUYSF-UHFFFAOYSA-N
XLogP2.38
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-2,3-dihydro-1,3-benzoxazol-2-one
CID 322632
5-Fluoro-2(3H)-benzoxazolone
CID 287208
6-methyl-1,3-benzoxazol-2(3H)-one
CID 322634
6-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-1,3-benzoxazol-2(3H)-one
CID 89555696
2-Benzoxazolinone, 6-benzyl-
CID 10632949
2-Benzoxazolinone, 5-(trifluoromethyl)-
CID 26852
2(3H)-Benzoxazolone, 6-(2-phenylethyl)-
CID 3022237
2-Benzoxazolinone, 6-ethyl-
CID 12891148
2-Oxo-2,3-dihydro-1,3-benzoxazole-5-carbonitrile
CID 12969094
6-pentyl-3H-1,3-benzoxazol-2-one
CID 10560176
6-propyl-3H-1,3-benzoxazol-2-one
CID 10821183
6-Fluoro-1,3-benzoxazol-2(3H)-one
CID 14457358

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-propan-2-yl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-fluoro-7-propan-2-yl-3H-1,3-benzoxazol-2-one (CID 58878475) is 6-fluoro-7-propan-2-yl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-fluoro-7-propan-2-yl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-fluoro-7-propan-2-yl-3H-1,3-benzoxazol-2-one is CC(C)c1c(F)ccc2[nH]c(=O)oc12.
What is the InChIKey of 6-fluoro-7-propan-2-yl-3H-1,3-benzoxazol-2-one?
The InChIKey is ZDAIUWOFXWUYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-5(2)8-6(11)3-4-7-9(8)14-10(13)12-7/h3-5H,1-2H3,(H,12,13).
What are the key properties of 6-fluoro-7-propan-2-yl-3H-1,3-benzoxazol-2-one?
6-fluoro-7-propan-2-yl-3H-1,3-benzoxazol-2-one has a molecular weight of 195.19 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-propan-2-yl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 58878475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).