4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol

C11H6F3NO3 — CID 16762721

IUPAC4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol
SMILESOC1(C(F)(F)F)Oc2ccccc2-c2oncc21
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)10(16)7-5-15-18-9(7)6-3-1-2-4-8(6)17-10/h1-5,16H
InChIKeyDZPLMKZFXNLOFF-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.44
Rot. Bonds

About 4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol

4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol (PubChem CID 16762721) has the molecular formula C11H6F3NO3 and a molecular weight of 257.17 g/mol. Its IUPAC name is 4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol.

Molecular Properties

Compound Name4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol
PubChem CID16762721
Molecular FormulaC11H6F3NO3
Molecular Weight257.17 g/mol
Exact Mass257.03
IUPAC Name4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol
SMILESOC1(C(F)(F)F)Oc2ccccc2-c2oncc21
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)10(16)7-5-15-18-9(7)6-3-1-2-4-8(6)17-10/h1-5,16H
InChIKeyDZPLMKZFXNLOFF-UHFFFAOYSA-N
XLogP2.44
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol?
The IUPAC name of 4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol (CID 16762721) is 4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol.
What is the SMILES notation for 4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol?
The canonical SMILES for 4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol is OC1(C(F)(F)F)Oc2ccccc2-c2oncc21.
What is the InChIKey of 4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol?
The InChIKey is DZPLMKZFXNLOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO3/c12-11(13,14)10(16)7-5-15-18-9(7)6-3-1-2-4-8(6)17-10/h1-5,16H.
What are the key properties of 4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol?
4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol has a molecular weight of 257.17 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol is sourced from PubChem (CID 16762721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).