4-(2-methanimidoyl-1,3-oxazol-5-yl)-9-(trifluoromethyl)fluoren-9-ol

C18H11F3N2O2 — CID 118119254

IUPAC4-(2-methanimidoyl-1,3-oxazol-5-yl)-9-(trifluoromethyl)fluoren-9-ol
SMILES[H]/N=C/c1ncc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)o1
InChIInChI=1S/C18H11F3N2O2/c19-18(20,21)17(24)12-6-2-1-4-10(12)16-11(5-3-7-13(16)17)14-9-23-15(8-22)25-14/h1-9,22,24H/b22-8+
InChIKeyQOQMEYBVVRSZEH-GZIVZEMBSA-N
MW344.29 g/mol
LogP4.12
Rot. Bonds2

About 4-(2-methanimidoyl-1,3-oxazol-5-yl)-9-(trifluoromethyl)fluoren-9-ol

4-(2-methanimidoyl-1,3-oxazol-5-yl)-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 118119254) has the molecular formula C18H11F3N2O2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 4-(2-methanimidoyl-1,3-oxazol-5-yl)-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-(2-methanimidoyl-1,3-oxazol-5-yl)-9-(trifluoromethyl)fluoren-9-ol
PubChem CID118119254
Molecular FormulaC18H11F3N2O2
Molecular Weight344.29 g/mol
Exact Mass344.08
IUPAC Name4-(2-methanimidoyl-1,3-oxazol-5-yl)-9-(trifluoromethyl)fluoren-9-ol
SMILES[H]/N=C/c1ncc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)o1
InChIInChI=1S/C18H11F3N2O2/c19-18(20,21)17(24)12-6-2-1-4-10(12)16-11(5-3-7-13(16)17)14-9-23-15(8-22)25-14/h1-9,22,24H/b22-8+
InChIKeyQOQMEYBVVRSZEH-GZIVZEMBSA-N
XLogP4.12
TPSA70.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59493116
4,9-bis(trifluoromethyl)fluoren-9-ol
CID 59492966
4-prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492630
4-methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493010
3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]propanamide
CID 59493073
4-[1-(2-methylpropyl)pyrazol-4-yl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492700
1-fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492710
3-methyl-5-(trifluoromethyl)indeno[1,2-b]pyridin-5-ol
CID 59492612
1-bromo-10-hydroxy-10-(trifluoromethyl)anthracen-9-one
CID 154697555
3-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylpropanamide
CID 59492737
aziridin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]methanone
CID 59492958
2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 59492627

Frequently Asked Questions

What is the IUPAC name of 4-(2-methanimidoyl-1,3-oxazol-5-yl)-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-(2-methanimidoyl-1,3-oxazol-5-yl)-9-(trifluoromethyl)fluoren-9-ol (CID 118119254) is 4-(2-methanimidoyl-1,3-oxazol-5-yl)-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-(2-methanimidoyl-1,3-oxazol-5-yl)-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-(2-methanimidoyl-1,3-oxazol-5-yl)-9-(trifluoromethyl)fluoren-9-ol is [H]/N=C/c1ncc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)o1.
What is the InChIKey of 4-(2-methanimidoyl-1,3-oxazol-5-yl)-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is QOQMEYBVVRSZEH-GZIVZEMBSA-N. The full InChI is InChI=1S/C18H11F3N2O2/c19-18(20,21)17(24)12-6-2-1-4-10(12)16-11(5-3-7-13(16)17)14-9-23-15(8-22)25-14/h1-9,22,24H/b22-8+.
What are the key properties of 4-(2-methanimidoyl-1,3-oxazol-5-yl)-9-(trifluoromethyl)fluoren-9-ol?
4-(2-methanimidoyl-1,3-oxazol-5-yl)-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 344.29 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methanimidoyl-1,3-oxazol-5-yl)-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 118119254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).