(2R)-2-cyclopentyl-6-fluoro-2-[2-(2H-oxet-4-yl)ethyl]-3-oxodecanoic acid

C20H31FO4 — CID 57169057

IUPAC(2R)-2-cyclopentyl-6-fluoro-2-[2-(2H-oxet-4-yl)ethyl]-3-oxodecanoic acid
SMILESCCCCC(F)CCC(=O)[C@](CCC1=CCO1)(C(=O)O)C1CCCC1
InChIInChI=1S/C20H31FO4/c1-2-3-8-16(21)9-10-18(22)20(19(23)24,15-6-4-5-7-15)13-11-17-12-14-25-17/h12,15-16H,2-11,13-14H2,1H3,(H,23,24)/t16?,20-/m1/s1
InChIKeyFUZCNNSXBTWNHQ-OTOKDRCRSA-N
MW354.46 g/mol
LogP4.82
Rot. Bonds12

About (2R)-2-cyclopentyl-6-fluoro-2-[2-(2H-oxet-4-yl)ethyl]-3-oxodecanoic acid

(2R)-2-cyclopentyl-6-fluoro-2-[2-(2H-oxet-4-yl)ethyl]-3-oxodecanoic acid (PubChem CID 57169057) has the molecular formula C20H31FO4 and a molecular weight of 354.46 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-6-fluoro-2-[2-(2H-oxet-4-yl)ethyl]-3-oxodecanoic acid.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-6-fluoro-2-[2-(2H-oxet-4-yl)ethyl]-3-oxodecanoic acid
PubChem CID57169057
Molecular FormulaC20H31FO4
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name(2R)-2-cyclopentyl-6-fluoro-2-[2-(2H-oxet-4-yl)ethyl]-3-oxodecanoic acid
SMILESCCCCC(F)CCC(=O)[C@](CCC1=CCO1)(C(=O)O)C1CCCC1
InChIInChI=1S/C20H31FO4/c1-2-3-8-16(21)9-10-18(22)20(19(23)24,15-6-4-5-7-15)13-11-17-12-14-25-17/h12,15-16H,2-11,13-14H2,1H3,(H,23,24)/t16?,20-/m1/s1
InChIKeyFUZCNNSXBTWNHQ-OTOKDRCRSA-N
XLogP4.82
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-6-fluoro-2-[2-(2H-oxet-4-yl)ethyl]-3-oxodecanoic acid?
The IUPAC name of (2R)-2-cyclopentyl-6-fluoro-2-[2-(2H-oxet-4-yl)ethyl]-3-oxodecanoic acid (CID 57169057) is (2R)-2-cyclopentyl-6-fluoro-2-[2-(2H-oxet-4-yl)ethyl]-3-oxodecanoic acid.
What is the SMILES notation for (2R)-2-cyclopentyl-6-fluoro-2-[2-(2H-oxet-4-yl)ethyl]-3-oxodecanoic acid?
The canonical SMILES for (2R)-2-cyclopentyl-6-fluoro-2-[2-(2H-oxet-4-yl)ethyl]-3-oxodecanoic acid is CCCCC(F)CCC(=O)[C@](CCC1=CCO1)(C(=O)O)C1CCCC1.
What is the InChIKey of (2R)-2-cyclopentyl-6-fluoro-2-[2-(2H-oxet-4-yl)ethyl]-3-oxodecanoic acid?
The InChIKey is FUZCNNSXBTWNHQ-OTOKDRCRSA-N. The full InChI is InChI=1S/C20H31FO4/c1-2-3-8-16(21)9-10-18(22)20(19(23)24,15-6-4-5-7-15)13-11-17-12-14-25-17/h12,15-16H,2-11,13-14H2,1H3,(H,23,24)/t16?,20-/m1/s1.
What are the key properties of (2R)-2-cyclopentyl-6-fluoro-2-[2-(2H-oxet-4-yl)ethyl]-3-oxodecanoic acid?
(2R)-2-cyclopentyl-6-fluoro-2-[2-(2H-oxet-4-yl)ethyl]-3-oxodecanoic acid has a molecular weight of 354.46 g/mol, XLogP of 4.82, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-6-fluoro-2-[2-(2H-oxet-4-yl)ethyl]-3-oxodecanoic acid is sourced from PubChem (CID 57169057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).