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

C10H15FO3 — CID 84776747

IUPAC3-(cyclopropylmethyl)-4-fluorooxane-3-carboxylic acid
SMILESO=C(O)C1(CC2CC2)COCCC1F
InChIInChI=1S/C10H15FO3/c11-8-3-4-14-6-10(8,9(12)13)5-7-1-2-7/h7-8H,1-6H2,(H,12,13)
InChIKeyHKPINJHNDAIDQH-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.62
Rot. Bonds3

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

3-(cyclopropylmethyl)-4-fluorooxane-3-carboxylic acid (PubChem CID 84776747) has the molecular formula C10H15FO3 and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-4-fluorooxane-3-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-4-fluorooxane-3-carboxylic acid
PubChem CID84776747
Molecular FormulaC10H15FO3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name3-(cyclopropylmethyl)-4-fluorooxane-3-carboxylic acid
SMILESO=C(O)C1(CC2CC2)COCCC1F
InChIInChI=1S/C10H15FO3/c11-8-3-4-14-6-10(8,9(12)13)5-7-1-2-7/h7-8H,1-6H2,(H,12,13)
InChIKeyHKPINJHNDAIDQH-UHFFFAOYSA-N
XLogP1.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-4-fluorooxane-3-carboxylic acid?
The IUPAC name of 3-(cyclopropylmethyl)-4-fluorooxane-3-carboxylic acid (CID 84776747) is 3-(cyclopropylmethyl)-4-fluorooxane-3-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylmethyl)-4-fluorooxane-3-carboxylic acid?
The canonical SMILES for 3-(cyclopropylmethyl)-4-fluorooxane-3-carboxylic acid is O=C(O)C1(CC2CC2)COCCC1F.
What is the InChIKey of 3-(cyclopropylmethyl)-4-fluorooxane-3-carboxylic acid?
The InChIKey is HKPINJHNDAIDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO3/c11-8-3-4-14-6-10(8,9(12)13)5-7-1-2-7/h7-8H,1-6H2,(H,12,13).
What are the key properties of 3-(cyclopropylmethyl)-4-fluorooxane-3-carboxylic acid?
3-(cyclopropylmethyl)-4-fluorooxane-3-carboxylic acid has a molecular weight of 202.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-4-fluorooxane-3-carboxylic acid is sourced from PubChem (CID 84776747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).