3-anthracen-1-yl-1,1,1-trifluoropropan-2-ol

C17H13F3O — CID 87888802

IUPAC3-anthracen-1-yl-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1cccc2cc3ccccc3cc12)C(F)(F)F
InChIInChI=1S/C17H13F3O/c18-17(19,20)16(21)10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9,16,21H,10H2
InChIKeyFBOOPACZGCIIRO-UHFFFAOYSA-N
MW290.28 g/mol
LogP4.46
Rot. Bonds2

About 3-anthracen-1-yl-1,1,1-trifluoropropan-2-ol

3-anthracen-1-yl-1,1,1-trifluoropropan-2-ol (PubChem CID 87888802) has the molecular formula C17H13F3O and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-anthracen-1-yl-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-anthracen-1-yl-1,1,1-trifluoropropan-2-ol
PubChem CID87888802
Molecular FormulaC17H13F3O
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name3-anthracen-1-yl-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1cccc2cc3ccccc3cc12)C(F)(F)F
InChIInChI=1S/C17H13F3O/c18-17(19,20)16(21)10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9,16,21H,10H2
InChIKeyFBOOPACZGCIIRO-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-anthracen-1-yl-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-anthracen-1-yl-1,1,1-trifluoropropan-2-ol (CID 87888802) is 3-anthracen-1-yl-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-anthracen-1-yl-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-anthracen-1-yl-1,1,1-trifluoropropan-2-ol is OC(Cc1cccc2cc3ccccc3cc12)C(F)(F)F.
What is the InChIKey of 3-anthracen-1-yl-1,1,1-trifluoropropan-2-ol?
The InChIKey is FBOOPACZGCIIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O/c18-17(19,20)16(21)10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9,16,21H,10H2.
What are the key properties of 3-anthracen-1-yl-1,1,1-trifluoropropan-2-ol?
3-anthracen-1-yl-1,1,1-trifluoropropan-2-ol has a molecular weight of 290.28 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-1-yl-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 87888802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).