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

C11H6F3NO3 — CID 42559530

IUPAC(4S)-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol
SMILESO[C@]1(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/t10-/m0/s1
InChIKeyDZPLMKZFXNLOFF-JTQLQIEISA-N
MW257.17 g/mol
LogP2.44
Rot. Bonds

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

(4S)-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol (PubChem CID 42559530) has the molecular formula C11H6F3NO3 and a molecular weight of 257.17 g/mol. Its IUPAC name is (4S)-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol.

Molecular Properties

Compound Name(4S)-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol
PubChem CID42559530
Molecular FormulaC11H6F3NO3
Molecular Weight257.17 g/mol
Exact Mass257.03
IUPAC Name(4S)-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol
SMILESO[C@]1(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/t10-/m0/s1
InChIKeyDZPLMKZFXNLOFF-JTQLQIEISA-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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Related Compounds

4,4-Dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d][1,2]oxazol-9-ol
CID 155567068
4-(trifluoromethyl)-4H-chromeno[3,4-d][1,2]oxazol-4-ol
CID 16762721
5-(4-Trifluoromethoxyphenyl)-4-isoxazolylmethanol
CID 22220981
8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole
CID 70356219
4-(2,2,2-Trifluoroethoxy)-1,2-benzoxazole
CID 91403919
5-[2-(Difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid
CID 113276438
5-[2-(Trifluoromethoxy)phenyl]-1,2-oxazole
CID 140278843
6-(1,1,2,3,3,3-Hexafluoropropoxy)-1,2-benzoxazole
CID 140979389
Methyl 5-[2-(difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate
CID 175455125
Chromeno[3,4-d][1,2]oxazol-4-one
CID 86219695
(4R)-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol
CID 42559529
8-fluoro-4H-chromeno[3,4-d][1,2]oxazole
CID 55255299

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol?
The IUPAC name of (4S)-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol (CID 42559530) is (4S)-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol.
What is the SMILES notation for (4S)-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol?
The canonical SMILES for (4S)-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol is O[C@]1(C(F)(F)F)Oc2ccccc2-c2oncc21.
What is the InChIKey of (4S)-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol?
The InChIKey is DZPLMKZFXNLOFF-JTQLQIEISA-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/t10-/m0/s1.
What are the key properties of (4S)-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol?
(4S)-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 (4S)-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol is sourced from PubChem (CID 42559530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).