3-[3-(trifluoromethyl)-9H-acridin-10-yl]propan-1-ol

C17H16F3NO — CID 59926302

IUPAC3-[3-(trifluoromethyl)-9H-acridin-10-yl]propan-1-ol
SMILESOCCCN1c2ccccc2Cc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H16F3NO/c18-17(19,20)14-7-6-13-10-12-4-1-2-5-15(12)21(8-3-9-22)16(13)11-14/h1-2,4-7,11,22H,3,8-10H2
InChIKeyCDMXQHJKANCPTE-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.13
Rot. Bonds3

About 3-[3-(trifluoromethyl)-9H-acridin-10-yl]propan-1-ol

3-[3-(trifluoromethyl)-9H-acridin-10-yl]propan-1-ol (PubChem CID 59926302) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)-9H-acridin-10-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)-9H-acridin-10-yl]propan-1-ol
PubChem CID59926302
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name3-[3-(trifluoromethyl)-9H-acridin-10-yl]propan-1-ol
SMILESOCCCN1c2ccccc2Cc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H16F3NO/c18-17(19,20)14-7-6-13-10-12-4-1-2-5-15(12)21(8-3-9-22)16(13)11-14/h1-2,4-7,11,22H,3,8-10H2
InChIKeyCDMXQHJKANCPTE-UHFFFAOYSA-N
XLogP4.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)-9H-acridin-10-yl]propan-1-ol?
The IUPAC name of 3-[3-(trifluoromethyl)-9H-acridin-10-yl]propan-1-ol (CID 59926302) is 3-[3-(trifluoromethyl)-9H-acridin-10-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(trifluoromethyl)-9H-acridin-10-yl]propan-1-ol?
The canonical SMILES for 3-[3-(trifluoromethyl)-9H-acridin-10-yl]propan-1-ol is OCCCN1c2ccccc2Cc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 3-[3-(trifluoromethyl)-9H-acridin-10-yl]propan-1-ol?
The InChIKey is CDMXQHJKANCPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c18-17(19,20)14-7-6-13-10-12-4-1-2-5-15(12)21(8-3-9-22)16(13)11-14/h1-2,4-7,11,22H,3,8-10H2.
What are the key properties of 3-[3-(trifluoromethyl)-9H-acridin-10-yl]propan-1-ol?
3-[3-(trifluoromethyl)-9H-acridin-10-yl]propan-1-ol has a molecular weight of 307.32 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)-9H-acridin-10-yl]propan-1-ol is sourced from PubChem (CID 59926302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).