(3S,4R)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3,4-diol

C7H12F3NO3 — CID 79419323

IUPAC(3S,4R)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3,4-diol
SMILESOC(CN1C[C@@H](O)[C@@H](O)C1)C(F)(F)F
InChIInChI=1S/C7H12F3NO3/c8-7(9,10)6(14)3-11-1-4(12)5(13)2-11/h4-6,12-14H,1-3H2/t4-,5+,6?
InChIKeyGHKKAIGZDLJUKX-XEAPYIEGSA-N
MW215.17 g/mol
LogP-1.05
Rot. Bonds2

About (3S,4R)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3,4-diol

(3S,4R)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3,4-diol (PubChem CID 79419323) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is (3S,4R)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3,4-diol
PubChem CID79419323
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name(3S,4R)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3,4-diol
SMILESOC(CN1C[C@@H](O)[C@@H](O)C1)C(F)(F)F
InChIInChI=1S/C7H12F3NO3/c8-7(9,10)6(14)3-11-1-4(12)5(13)2-11/h4-6,12-14H,1-3H2/t4-,5+,6?
InChIKeyGHKKAIGZDLJUKX-XEAPYIEGSA-N
XLogP-1.05
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3,4-diol (CID 79419323) is (3S,4R)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3,4-diol is OC(CN1C[C@@H](O)[C@@H](O)C1)C(F)(F)F.
What is the InChIKey of (3S,4R)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3,4-diol?
The InChIKey is GHKKAIGZDLJUKX-XEAPYIEGSA-N. The full InChI is InChI=1S/C7H12F3NO3/c8-7(9,10)6(14)3-11-1-4(12)5(13)2-11/h4-6,12-14H,1-3H2/t4-,5+,6?.
What are the key properties of (3S,4R)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3,4-diol?
(3S,4R)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3,4-diol has a molecular weight of 215.17 g/mol, XLogP of -1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 79419323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).