2-[(1R,3R)-3-fluorocyclopentyl]acetic acid

C7H11FO2 — CID 135389382

IUPAC2-[(1R,3R)-3-fluorocyclopentyl]acetic acid
SMILESO=C(O)C[C@H]1CC[C@@H](F)C1
InChIInChI=1S/C7H11FO2/c8-6-2-1-5(3-6)4-7(9)10/h5-6H,1-4H2,(H,9,10)/t5-,6+/m0/s1
InChIKeyZBJKJOGIAXFCAB-NTSWFWBYSA-N
MW146.16 g/mol
LogP1.60
Rot. Bonds2

About 2-[(1R,3R)-3-fluorocyclopentyl]acetic acid

2-[(1R,3R)-3-fluorocyclopentyl]acetic acid (PubChem CID 135389382) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 2-[(1R,3R)-3-fluorocyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,3R)-3-fluorocyclopentyl]acetic acid
PubChem CID135389382
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name2-[(1R,3R)-3-fluorocyclopentyl]acetic acid
SMILESO=C(O)C[C@H]1CC[C@@H](F)C1
InChIInChI=1S/C7H11FO2/c8-6-2-1-5(3-6)4-7(9)10/h5-6H,1-4H2,(H,9,10)/t5-,6+/m0/s1
InChIKeyZBJKJOGIAXFCAB-NTSWFWBYSA-N
XLogP1.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R)-3-fluorocyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,3R)-3-fluorocyclopentyl]acetic acid (CID 135389382) is 2-[(1R,3R)-3-fluorocyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,3R)-3-fluorocyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,3R)-3-fluorocyclopentyl]acetic acid is O=C(O)C[C@H]1CC[C@@H](F)C1.
What is the InChIKey of 2-[(1R,3R)-3-fluorocyclopentyl]acetic acid?
The InChIKey is ZBJKJOGIAXFCAB-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H11FO2/c8-6-2-1-5(3-6)4-7(9)10/h5-6H,1-4H2,(H,9,10)/t5-,6+/m0/s1.
What are the key properties of 2-[(1R,3R)-3-fluorocyclopentyl]acetic acid?
2-[(1R,3R)-3-fluorocyclopentyl]acetic acid has a molecular weight of 146.16 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R)-3-fluorocyclopentyl]acetic acid is sourced from PubChem (CID 135389382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).