4-(cyclobutylmethyl)-3-fluorooxane-4-carboxylic acid

C11H17FO3 — CID 84784700

IUPAC4-(cyclobutylmethyl)-3-fluorooxane-4-carboxylic acid
SMILESO=C(O)C1(CC2CCC2)CCOCC1F
InChIInChI=1S/C11H17FO3/c12-9-7-15-5-4-11(9,10(13)14)6-8-2-1-3-8/h8-9H,1-7H2,(H,13,14)
InChIKeySJRBJASLTUFSDH-UHFFFAOYSA-N
MW216.25 g/mol
LogP2.01
Rot. Bonds3

About 4-(cyclobutylmethyl)-3-fluorooxane-4-carboxylic acid

4-(cyclobutylmethyl)-3-fluorooxane-4-carboxylic acid (PubChem CID 84784700) has the molecular formula C11H17FO3 and a molecular weight of 216.25 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-3-fluorooxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-3-fluorooxane-4-carboxylic acid
PubChem CID84784700
Molecular FormulaC11H17FO3
Molecular Weight216.25 g/mol
Exact Mass216.12
IUPAC Name4-(cyclobutylmethyl)-3-fluorooxane-4-carboxylic acid
SMILESO=C(O)C1(CC2CCC2)CCOCC1F
InChIInChI=1S/C11H17FO3/c12-9-7-15-5-4-11(9,10(13)14)6-8-2-1-3-8/h8-9H,1-7H2,(H,13,14)
InChIKeySJRBJASLTUFSDH-UHFFFAOYSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-3-fluorooxane-4-carboxylic acid?
The IUPAC name of 4-(cyclobutylmethyl)-3-fluorooxane-4-carboxylic acid (CID 84784700) is 4-(cyclobutylmethyl)-3-fluorooxane-4-carboxylic acid.
What is the SMILES notation for 4-(cyclobutylmethyl)-3-fluorooxane-4-carboxylic acid?
The canonical SMILES for 4-(cyclobutylmethyl)-3-fluorooxane-4-carboxylic acid is O=C(O)C1(CC2CCC2)CCOCC1F.
What is the InChIKey of 4-(cyclobutylmethyl)-3-fluorooxane-4-carboxylic acid?
The InChIKey is SJRBJASLTUFSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO3/c12-9-7-15-5-4-11(9,10(13)14)6-8-2-1-3-8/h8-9H,1-7H2,(H,13,14).
What are the key properties of 4-(cyclobutylmethyl)-3-fluorooxane-4-carboxylic acid?
4-(cyclobutylmethyl)-3-fluorooxane-4-carboxylic acid has a molecular weight of 216.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-3-fluorooxane-4-carboxylic acid is sourced from PubChem (CID 84784700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).