5,5,5-trifluoro-1-phenylpentane-1,4-diol

C11H13F3O2 — CID 79423436

IUPAC5,5,5-trifluoro-1-phenylpentane-1,4-diol
SMILESOC(CCC(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H13F3O2/c12-11(13,14)10(16)7-6-9(15)8-4-2-1-3-5-8/h1-5,9-10,15-16H,6-7H2
InChIKeyLZMIISAUYBREAM-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.42
Rot. Bonds4

About 5,5,5-trifluoro-1-phenylpentane-1,4-diol

5,5,5-trifluoro-1-phenylpentane-1,4-diol (PubChem CID 79423436) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-phenylpentane-1,4-diol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-phenylpentane-1,4-diol
PubChem CID79423436
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name5,5,5-trifluoro-1-phenylpentane-1,4-diol
SMILESOC(CCC(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H13F3O2/c12-11(13,14)10(16)7-6-9(15)8-4-2-1-3-5-8/h1-5,9-10,15-16H,6-7H2
InChIKeyLZMIISAUYBREAM-UHFFFAOYSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,4-triphenylbutan-1-ol
CID 141326006
1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 63901679
5-phenylpentane-1,2,5-triol
CID 82849671
(4R)-1-phenylpentane-1,4-diol
CID 13204353
(1S)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 54591246
(1R)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 92981235
1-phenyl-4-(trifluoromethoxy)butan-1-ol
CID 79423276
1-phenylpropane-1,3-diol
CID 572059
1-phenylpropane-1,3-diol;hydrobromide
CID 68975268
(1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride
CID 171237918
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 76624652

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-phenylpentane-1,4-diol?
The IUPAC name of 5,5,5-trifluoro-1-phenylpentane-1,4-diol (CID 79423436) is 5,5,5-trifluoro-1-phenylpentane-1,4-diol.
What is the SMILES notation for 5,5,5-trifluoro-1-phenylpentane-1,4-diol?
The canonical SMILES for 5,5,5-trifluoro-1-phenylpentane-1,4-diol is OC(CCC(O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 5,5,5-trifluoro-1-phenylpentane-1,4-diol?
The InChIKey is LZMIISAUYBREAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c12-11(13,14)10(16)7-6-9(15)8-4-2-1-3-5-8/h1-5,9-10,15-16H,6-7H2.
What are the key properties of 5,5,5-trifluoro-1-phenylpentane-1,4-diol?
5,5,5-trifluoro-1-phenylpentane-1,4-diol has a molecular weight of 234.22 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-phenylpentane-1,4-diol is sourced from PubChem (CID 79423436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).