(2R)-4-ethoxy-2-(trifluoromethyl)pentane-1,2,3-triol

C8H15F3O4 — CID 134582397

IUPAC(2R)-4-ethoxy-2-(trifluoromethyl)pentane-1,2,3-triol
SMILESCCOC(C)C(O)[C@](O)(CO)C(F)(F)F
InChIInChI=1S/C8H15F3O4/c1-3-15-5(2)6(13)7(14,4-12)8(9,10)11/h5-6,12-14H,3-4H2,1-2H3/t5?,6?,7-/m1/s1
InChIKeyANFHIICBBGYIDK-KPGICGJXSA-N
MW232.20 g/mol
LogP0.06
Rot. Bonds5

About (2R)-4-ethoxy-2-(trifluoromethyl)pentane-1,2,3-triol

(2R)-4-ethoxy-2-(trifluoromethyl)pentane-1,2,3-triol (PubChem CID 134582397) has the molecular formula C8H15F3O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is (2R)-4-ethoxy-2-(trifluoromethyl)pentane-1,2,3-triol.

Molecular Properties

Compound Name(2R)-4-ethoxy-2-(trifluoromethyl)pentane-1,2,3-triol
PubChem CID134582397
Molecular FormulaC8H15F3O4
Molecular Weight232.20 g/mol
Exact Mass232.09
IUPAC Name(2R)-4-ethoxy-2-(trifluoromethyl)pentane-1,2,3-triol
SMILESCCOC(C)C(O)[C@](O)(CO)C(F)(F)F
InChIInChI=1S/C8H15F3O4/c1-3-15-5(2)6(13)7(14,4-12)8(9,10)11/h5-6,12-14H,3-4H2,1-2H3/t5?,6?,7-/m1/s1
InChIKeyANFHIICBBGYIDK-KPGICGJXSA-N
XLogP0.06
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-ethoxy-2-(trifluoromethyl)pentane-1,2,3-triol?
The IUPAC name of (2R)-4-ethoxy-2-(trifluoromethyl)pentane-1,2,3-triol (CID 134582397) is (2R)-4-ethoxy-2-(trifluoromethyl)pentane-1,2,3-triol.
What is the SMILES notation for (2R)-4-ethoxy-2-(trifluoromethyl)pentane-1,2,3-triol?
The canonical SMILES for (2R)-4-ethoxy-2-(trifluoromethyl)pentane-1,2,3-triol is CCOC(C)C(O)[C@](O)(CO)C(F)(F)F.
What is the InChIKey of (2R)-4-ethoxy-2-(trifluoromethyl)pentane-1,2,3-triol?
The InChIKey is ANFHIICBBGYIDK-KPGICGJXSA-N. The full InChI is InChI=1S/C8H15F3O4/c1-3-15-5(2)6(13)7(14,4-12)8(9,10)11/h5-6,12-14H,3-4H2,1-2H3/t5?,6?,7-/m1/s1.
What are the key properties of (2R)-4-ethoxy-2-(trifluoromethyl)pentane-1,2,3-triol?
(2R)-4-ethoxy-2-(trifluoromethyl)pentane-1,2,3-triol has a molecular weight of 232.20 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-ethoxy-2-(trifluoromethyl)pentane-1,2,3-triol is sourced from PubChem (CID 134582397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).