(1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol

C12H19FO5 — CID 66808938

IUPAC(1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol
SMILESCC1(C)C(O)[C@@]1(O)[C@H]1OC(F)[C@]2(O)C(C)(C)[C@]12O
InChIInChI=1S/C12H19FO5/c1-8(2)5(14)10(8,15)6-11(16)9(3,4)12(11,17)7(13)18-6/h5-7,14-17H,1-4H3/t5?,6-,7?,10-,11-,12+/m1/s1
InChIKeyFCAINJUDJMEOMH-JXHFIPLVSA-N
MW262.28 g/mol
LogP-0.69
Rot. Bonds1

About (1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol

(1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol (PubChem CID 66808938) has the molecular formula C12H19FO5 and a molecular weight of 262.28 g/mol. Its IUPAC name is (1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol.

Molecular Properties

Compound Name(1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol
PubChem CID66808938
Molecular FormulaC12H19FO5
Molecular Weight262.28 g/mol
Exact Mass262.12
IUPAC Name(1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol
SMILESCC1(C)C(O)[C@@]1(O)[C@H]1OC(F)[C@]2(O)C(C)(C)[C@]12O
InChIInChI=1S/C12H19FO5/c1-8(2)5(14)10(8,15)6-11(16)9(3,4)12(11,17)7(13)18-6/h5-7,14-17H,1-4H3/t5?,6-,7?,10-,11-,12+/m1/s1
InChIKeyFCAINJUDJMEOMH-JXHFIPLVSA-N
XLogP-0.69
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol?
The IUPAC name of (1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol (CID 66808938) is (1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol.
What is the SMILES notation for (1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol?
The canonical SMILES for (1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol is CC1(C)C(O)[C@@]1(O)[C@H]1OC(F)[C@]2(O)C(C)(C)[C@]12O.
What is the InChIKey of (1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol?
The InChIKey is FCAINJUDJMEOMH-JXHFIPLVSA-N. The full InChI is InChI=1S/C12H19FO5/c1-8(2)5(14)10(8,15)6-11(16)9(3,4)12(11,17)7(13)18-6/h5-7,14-17H,1-4H3/t5?,6-,7?,10-,11-,12+/m1/s1.
What are the key properties of (1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol?
(1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol has a molecular weight of 262.28 g/mol, XLogP of -0.69, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-2-[(1R)-1,3-dihydroxy-2,2-dimethylcyclopropyl]-4-fluoro-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol is sourced from PubChem (CID 66808938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).