[(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol

C8H15FO — CID 130179287

IUPAC[(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol
SMILESCC1C[C@H](CO)[C@@H](C)[C@@H]1F
InChIInChI=1S/C8H15FO/c1-5-3-7(4-10)6(2)8(5)9/h5-8,10H,3-4H2,1-2H3/t5?,6-,7-,8-/m1/s1
InChIKeyGTGRDUWYNITSFB-UIYHXYAWSA-N
MW146.21 g/mol
LogP1.61
Rot. Bonds1

About [(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol

[(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol (PubChem CID 130179287) has the molecular formula C8H15FO and a molecular weight of 146.21 g/mol. Its IUPAC name is [(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol
PubChem CID130179287
Molecular FormulaC8H15FO
Molecular Weight146.21 g/mol
Exact Mass146.11
IUPAC Name[(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol
SMILESCC1C[C@H](CO)[C@@H](C)[C@@H]1F
InChIInChI=1S/C8H15FO/c1-5-3-7(4-10)6(2)8(5)9/h5-8,10H,3-4H2,1-2H3/t5?,6-,7-,8-/m1/s1
InChIKeyGTGRDUWYNITSFB-UIYHXYAWSA-N
XLogP1.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol?
The IUPAC name of [(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol (CID 130179287) is [(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol.
What is the SMILES notation for [(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol?
The canonical SMILES for [(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol is CC1C[C@H](CO)[C@@H](C)[C@@H]1F.
What is the InChIKey of [(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol?
The InChIKey is GTGRDUWYNITSFB-UIYHXYAWSA-N. The full InChI is InChI=1S/C8H15FO/c1-5-3-7(4-10)6(2)8(5)9/h5-8,10H,3-4H2,1-2H3/t5?,6-,7-,8-/m1/s1.
What are the key properties of [(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol?
[(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol has a molecular weight of 146.21 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R)-3-fluoro-2,4-dimethylcyclopentyl]methanol is sourced from PubChem (CID 130179287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).