2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid

C7H4F8O3 — CID 154143640

IUPAC2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid
SMILESO=C(O)CC1(O)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H4F8O3/c8-4(9)3(18,1-2(16)17)5(10,11)7(14,15)6(4,12)13/h18H,1H2,(H,16,17)
InChIKeyAGLPHTGLOCATNP-UHFFFAOYSA-N
MW288.09 g/mol
LogP1.75
Rot. Bonds2

About 2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid

2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid (PubChem CID 154143640) has the molecular formula C7H4F8O3 and a molecular weight of 288.09 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid
PubChem CID154143640
Molecular FormulaC7H4F8O3
Molecular Weight288.09 g/mol
Exact Mass288.00
IUPAC Name2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid
SMILESO=C(O)CC1(O)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H4F8O3/c8-4(9)3(18,1-2(16)17)5(10,11)7(14,15)6(4,12)13/h18H,1H2,(H,16,17)
InChIKeyAGLPHTGLOCATNP-UHFFFAOYSA-N
XLogP1.75
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)acetic acid
CID 19895197
1-(carboxymethyl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 176916515
2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1,1-dicarbonyl fluoride
CID 88638074
2-(2-methyloxiran-2-yl)acetic acid
CID 87261352
2-(3-hydroxythietan-3-yl)acetic acid
CID 82594638
2-[1-(chloromethyl)cyclopropyl]acetic acid
CID 55302932
2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetic acid
CID 23370839
2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid
CID 130647860
1-amino-2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-carboxylic acid
CID 174986049
2-(1-acetyl-3-fluoroazetidin-3-yl)acetic acid
CID 167720226
1-(carboxymethyl)cyclotridecane-1-carboxylic acid
CID 18620498
2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid
CID 174770713

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid?
The IUPAC name of 2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid (CID 154143640) is 2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid.
What is the SMILES notation for 2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid?
The canonical SMILES for 2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid is O=C(O)CC1(O)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid?
The InChIKey is AGLPHTGLOCATNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F8O3/c8-4(9)3(18,1-2(16)17)5(10,11)7(14,15)6(4,12)13/h18H,1H2,(H,16,17).
What are the key properties of 2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid?
2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid has a molecular weight of 288.09 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxycyclopentyl)acetic acid is sourced from PubChem (CID 154143640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).