4-(2-fluoro-5-methylanilino)oxolan-3-ol

C11H14FNO2 — CID 60900781

IUPAC4-(2-fluoro-5-methylanilino)oxolan-3-ol
SMILESCc1ccc(F)c(NC2COCC2O)c1
InChIInChI=1S/C11H14FNO2/c1-7-2-3-8(12)9(4-7)13-10-5-15-6-11(10)14/h2-4,10-11,13-14H,5-6H2,1H3
InChIKeyWYRVWCXCTANYIM-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.31
Rot. Bonds2

About 4-(2-fluoro-5-methylanilino)oxolan-3-ol

4-(2-fluoro-5-methylanilino)oxolan-3-ol (PubChem CID 60900781) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylanilino)oxolan-3-ol.

Molecular Properties

Compound Name4-(2-fluoro-5-methylanilino)oxolan-3-ol
PubChem CID60900781
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name4-(2-fluoro-5-methylanilino)oxolan-3-ol
SMILESCc1ccc(F)c(NC2COCC2O)c1
InChIInChI=1S/C11H14FNO2/c1-7-2-3-8(12)9(4-7)13-10-5-15-6-11(10)14/h2-4,10-11,13-14H,5-6H2,1H3
InChIKeyWYRVWCXCTANYIM-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylanilino)oxolan-3-ol?
The IUPAC name of 4-(2-fluoro-5-methylanilino)oxolan-3-ol (CID 60900781) is 4-(2-fluoro-5-methylanilino)oxolan-3-ol.
What is the SMILES notation for 4-(2-fluoro-5-methylanilino)oxolan-3-ol?
The canonical SMILES for 4-(2-fluoro-5-methylanilino)oxolan-3-ol is Cc1ccc(F)c(NC2COCC2O)c1.
What is the InChIKey of 4-(2-fluoro-5-methylanilino)oxolan-3-ol?
The InChIKey is WYRVWCXCTANYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-2-3-8(12)9(4-7)13-10-5-15-6-11(10)14/h2-4,10-11,13-14H,5-6H2,1H3.
What are the key properties of 4-(2-fluoro-5-methylanilino)oxolan-3-ol?
4-(2-fluoro-5-methylanilino)oxolan-3-ol has a molecular weight of 211.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylanilino)oxolan-3-ol is sourced from PubChem (CID 60900781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).