(1S,2R,3R,5R)-1-(fluoromethyl)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol

C8H15FO3 — CID 59796313

IUPAC(1S,2R,3R,5R)-1-(fluoromethyl)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol
SMILESC[C@@H]1C[C@H](CO)[C@@H](O)[C@]1(O)CF
InChIInChI=1S/C8H15FO3/c1-5-2-6(3-10)7(11)8(5,12)4-9/h5-7,10-12H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1
InChIKeyWNMFHKPCXMMVLB-XUTVFYLZSA-N
MW178.20 g/mol
LogP-0.30
Rot. Bonds2

About (1S,2R,3R,5R)-1-(fluoromethyl)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol

(1S,2R,3R,5R)-1-(fluoromethyl)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol (PubChem CID 59796313) has the molecular formula C8H15FO3 and a molecular weight of 178.20 g/mol. Its IUPAC name is (1S,2R,3R,5R)-1-(fluoromethyl)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3R,5R)-1-(fluoromethyl)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol
PubChem CID59796313
Molecular FormulaC8H15FO3
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name(1S,2R,3R,5R)-1-(fluoromethyl)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol
SMILESC[C@@H]1C[C@H](CO)[C@@H](O)[C@]1(O)CF
InChIInChI=1S/C8H15FO3/c1-5-2-6(3-10)7(11)8(5,12)4-9/h5-7,10-12H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1
InChIKeyWNMFHKPCXMMVLB-XUTVFYLZSA-N
XLogP-0.30
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.30
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)-1-(fluoromethyl)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3R,5R)-1-(fluoromethyl)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol (CID 59796313) is (1S,2R,3R,5R)-1-(fluoromethyl)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3R,5R)-1-(fluoromethyl)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3R,5R)-1-(fluoromethyl)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol is C[C@@H]1C[C@H](CO)[C@@H](O)[C@]1(O)CF.
What is the InChIKey of (1S,2R,3R,5R)-1-(fluoromethyl)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol?
The InChIKey is WNMFHKPCXMMVLB-XUTVFYLZSA-N. The full InChI is InChI=1S/C8H15FO3/c1-5-2-6(3-10)7(11)8(5,12)4-9/h5-7,10-12H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1.
What are the key properties of (1S,2R,3R,5R)-1-(fluoromethyl)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol?
(1S,2R,3R,5R)-1-(fluoromethyl)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol has a molecular weight of 178.20 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-1-(fluoromethyl)-3-(hydroxymethyl)-5-methylcyclopentane-1,2-diol is sourced from PubChem (CID 59796313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).