(1S,2R,3R,5R)-3-(hydroxymethyl)-5-methyl-1-(trifluoromethyl)cyclopentane-1,2-diol

C8H13F3O3 — CID 59796263

IUPAC(1S,2R,3R,5R)-3-(hydroxymethyl)-5-methyl-1-(trifluoromethyl)cyclopentane-1,2-diol
SMILESC[C@@H]1C[C@H](CO)[C@@H](O)[C@]1(O)C(F)(F)F
InChIInChI=1S/C8H13F3O3/c1-4-2-5(3-12)6(13)7(4,14)8(9,10)11/h4-6,12-14H,2-3H2,1H3/t4-,5-,6-,7+/m1/s1
InChIKeyPZINXNKLDCSDRZ-GBNDHIKLSA-N
MW214.18 g/mol
LogP0.29
Rot. Bonds1

About (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methyl-1-(trifluoromethyl)cyclopentane-1,2-diol

(1S,2R,3R,5R)-3-(hydroxymethyl)-5-methyl-1-(trifluoromethyl)cyclopentane-1,2-diol (PubChem CID 59796263) has the molecular formula C8H13F3O3 and a molecular weight of 214.18 g/mol. Its IUPAC name is (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methyl-1-(trifluoromethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3R,5R)-3-(hydroxymethyl)-5-methyl-1-(trifluoromethyl)cyclopentane-1,2-diol
PubChem CID59796263
Molecular FormulaC8H13F3O3
Molecular Weight214.18 g/mol
Exact Mass214.08
IUPAC Name(1S,2R,3R,5R)-3-(hydroxymethyl)-5-methyl-1-(trifluoromethyl)cyclopentane-1,2-diol
SMILESC[C@@H]1C[C@H](CO)[C@@H](O)[C@]1(O)C(F)(F)F
InChIInChI=1S/C8H13F3O3/c1-4-2-5(3-12)6(13)7(4,14)8(9,10)11/h4-6,12-14H,2-3H2,1H3/t4-,5-,6-,7+/m1/s1
InChIKeyPZINXNKLDCSDRZ-GBNDHIKLSA-N
XLogP0.29
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methyl-1-(trifluoromethyl)cyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methyl-1-(trifluoromethyl)cyclopentane-1,2-diol (CID 59796263) is (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methyl-1-(trifluoromethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methyl-1-(trifluoromethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methyl-1-(trifluoromethyl)cyclopentane-1,2-diol is C[C@@H]1C[C@H](CO)[C@@H](O)[C@]1(O)C(F)(F)F.
What is the InChIKey of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methyl-1-(trifluoromethyl)cyclopentane-1,2-diol?
The InChIKey is PZINXNKLDCSDRZ-GBNDHIKLSA-N. The full InChI is InChI=1S/C8H13F3O3/c1-4-2-5(3-12)6(13)7(4,14)8(9,10)11/h4-6,12-14H,2-3H2,1H3/t4-,5-,6-,7+/m1/s1.
What are the key properties of (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methyl-1-(trifluoromethyl)cyclopentane-1,2-diol?
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-methyl-1-(trifluoromethyl)cyclopentane-1,2-diol has a molecular weight of 214.18 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-3-(hydroxymethyl)-5-methyl-1-(trifluoromethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 59796263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).