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

C7H11FO2 — CID 105428900

IUPAC2-[(1S,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-/m1/s1
InChIKeyZBJKJOGIAXFCAB-PHDIDXHHSA-N
MW146.16 g/mol
LogP1.60
Rot. Bonds2

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

2-[(1S,3R)-3-fluorocyclopentyl]acetic acid (PubChem CID 105428900) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 2-[(1S,3R)-3-fluorocyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,3R)-3-fluorocyclopentyl]acetic acid
PubChem CID105428900
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name2-[(1S,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-/m1/s1
InChIKeyZBJKJOGIAXFCAB-PHDIDXHHSA-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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Related Compounds

2-[(1R,3R)-3-fluorocyclopentyl]acetic acid
CID 135389382
2-[3-(hydroxymethyl)cyclopentyl]acetic acid
CID 105430907
(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid
CID 146210075
2-[(1R,3R)-3-aminocyclopentyl]acetic acid;hydrochloride
CID 170154863
2-(3,4-diaminocyclohexyl)acetic acid
CID 77276745
2-[3-(difluoromethoxy)cyclopentyl]acetic acid
CID 84720257
2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid
CID 134308641
potassium;hydride;2-(3-methoxycyclopentyl)acetic acid
CID 173013744
potassium;2-cyclohexylacetic acid;hydride
CID 174261063
azane;2-cyclohexylacetic acid;iron
CID 67746719
2-(1,2-dimethylpiperidin-4-yl)acetic acid
CID 57247526
2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
CID 162187891

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-3-fluorocyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,3R)-3-fluorocyclopentyl]acetic acid (CID 105428900) is 2-[(1S,3R)-3-fluorocyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,3R)-3-fluorocyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,3R)-3-fluorocyclopentyl]acetic acid is O=C(O)C[C@@H]1CC[C@@H](F)C1.
What is the InChIKey of 2-[(1S,3R)-3-fluorocyclopentyl]acetic acid?
The InChIKey is ZBJKJOGIAXFCAB-PHDIDXHHSA-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-/m1/s1.
What are the key properties of 2-[(1S,3R)-3-fluorocyclopentyl]acetic acid?
2-[(1S,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-[(1S,3R)-3-fluorocyclopentyl]acetic acid is sourced from PubChem (CID 105428900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).