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

C17H13F3O — CID 87888800

IUPAC2-anthracen-1-yl-1,1,2-trifluoropropan-1-ol
SMILESCC(F)(c1cccc2cc3ccccc3cc12)C(O)(F)F
InChIInChI=1S/C17H13F3O/c1-16(18,17(19,20)21)15-8-4-7-13-9-11-5-2-3-6-12(11)10-14(13)15/h2-10,21H,1H3
InChIKeyHUEMKDPEDCSQQQ-UHFFFAOYSA-N
MW290.28 g/mol
LogP4.76
Rot. Bonds2

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

2-anthracen-1-yl-1,1,2-trifluoropropan-1-ol (PubChem CID 87888800) has the molecular formula C17H13F3O and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-anthracen-1-yl-1,1,2-trifluoropropan-1-ol.

Molecular Properties

Compound Name2-anthracen-1-yl-1,1,2-trifluoropropan-1-ol
PubChem CID87888800
Molecular FormulaC17H13F3O
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name2-anthracen-1-yl-1,1,2-trifluoropropan-1-ol
SMILESCC(F)(c1cccc2cc3ccccc3cc12)C(O)(F)F
InChIInChI=1S/C17H13F3O/c1-16(18,17(19,20)21)15-8-4-7-13-9-11-5-2-3-6-12(11)10-14(13)15/h2-10,21H,1H3
InChIKeyHUEMKDPEDCSQQQ-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
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 2-anthracen-1-yl-1,1,2-trifluoropropan-1-ol?
The IUPAC name of 2-anthracen-1-yl-1,1,2-trifluoropropan-1-ol (CID 87888800) is 2-anthracen-1-yl-1,1,2-trifluoropropan-1-ol.
What is the SMILES notation for 2-anthracen-1-yl-1,1,2-trifluoropropan-1-ol?
The canonical SMILES for 2-anthracen-1-yl-1,1,2-trifluoropropan-1-ol is CC(F)(c1cccc2cc3ccccc3cc12)C(O)(F)F.
What is the InChIKey of 2-anthracen-1-yl-1,1,2-trifluoropropan-1-ol?
The InChIKey is HUEMKDPEDCSQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O/c1-16(18,17(19,20)21)15-8-4-7-13-9-11-5-2-3-6-12(11)10-14(13)15/h2-10,21H,1H3.
What are the key properties of 2-anthracen-1-yl-1,1,2-trifluoropropan-1-ol?
2-anthracen-1-yl-1,1,2-trifluoropropan-1-ol has a molecular weight of 290.28 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-1-yl-1,1,2-trifluoropropan-1-ol is sourced from PubChem (CID 87888800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).