1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol

C6H10F4O2 — CID 57209503

IUPAC1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol
SMILESOC(CF)C(F)C(O)(CF)CF
InChIInChI=1S/C6H10F4O2/c7-1-4(11)5(10)6(12,2-8)3-9/h4-5,11-12H,1-3H2
InChIKeyVRKVUDCEMXLVER-UHFFFAOYSA-N
MW190.14 g/mol
LogP0.32
Rot. Bonds5

About 1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol

1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol (PubChem CID 57209503) has the molecular formula C6H10F4O2 and a molecular weight of 190.14 g/mol. Its IUPAC name is 1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol.

Molecular Properties

Compound Name1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol
PubChem CID57209503
Molecular FormulaC6H10F4O2
Molecular Weight190.14 g/mol
Exact Mass190.06
IUPAC Name1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol
SMILESOC(CF)C(F)C(O)(CF)CF
InChIInChI=1S/C6H10F4O2/c7-1-4(11)5(10)6(12,2-8)3-9/h4-5,11-12H,1-3H2
InChIKeyVRKVUDCEMXLVER-UHFFFAOYSA-N
XLogP0.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol?
The IUPAC name of 1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol (CID 57209503) is 1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol.
What is the SMILES notation for 1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol?
The canonical SMILES for 1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol is OC(CF)C(F)C(O)(CF)CF.
What is the InChIKey of 1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol?
The InChIKey is VRKVUDCEMXLVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O2/c7-1-4(11)5(10)6(12,2-8)3-9/h4-5,11-12H,1-3H2.
What are the key properties of 1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol?
1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol has a molecular weight of 190.14 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trifluoro-2-(fluoromethyl)pentane-2,4-diol is sourced from PubChem (CID 57209503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).