trans-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid

C6H9FO3 — CID 137374362

IUPACtrans-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)C1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C6H9FO3/c7-4-1-3(6(9)10)2-5(4)8/h3-5,8H,1-2H2,(H,9,10)/t3?,4-,5-/m1/s1
InChIKeyJRTSDVREWDXYFF-YZNZAMEGSA-N
MW148.13 g/mol
LogP0.18
Rot. Bonds1

About trans-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid

trans-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid (PubChem CID 137374362) has the molecular formula C6H9FO3 and a molecular weight of 148.13 g/mol. Its IUPAC name is trans-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid
PubChem CID137374362
Molecular FormulaC6H9FO3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Nametrans-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)C1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C6H9FO3/c7-4-1-3(6(9)10)2-5(4)8/h3-5,8H,1-2H2,(H,9,10)/t3?,4-,5-/m1/s1
InChIKeyJRTSDVREWDXYFF-YZNZAMEGSA-N
XLogP0.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid?
The IUPAC name of trans-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid (CID 137374362) is trans-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid is O=C(O)C1C[C@@H](O)[C@H](F)C1.
What is the InChIKey of trans-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid?
The InChIKey is JRTSDVREWDXYFF-YZNZAMEGSA-N. The full InChI is InChI=1S/C6H9FO3/c7-4-1-3(6(9)10)2-5(4)8/h3-5,8H,1-2H2,(H,9,10)/t3?,4-,5-/m1/s1.
What are the key properties of trans-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid?
trans-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid has a molecular weight of 148.13 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 137374362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).