3-[cyclobutyl(difluoro)methyl]pentanoic acid

C10H16F2O2 — CID 90835758

IUPAC3-[cyclobutyl(difluoro)methyl]pentanoic acid
SMILESCCC(CC(=O)O)C(F)(F)C1CCC1
InChIInChI=1S/C10H16F2O2/c1-2-7(6-9(13)14)10(11,12)8-4-3-5-8/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeyKBAIWOQHOXGYFQ-UHFFFAOYSA-N
MW206.23 g/mol
LogP2.92
Rot. Bonds5

About 3-[cyclobutyl(difluoro)methyl]pentanoic acid

3-[cyclobutyl(difluoro)methyl]pentanoic acid (PubChem CID 90835758) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is 3-[cyclobutyl(difluoro)methyl]pentanoic acid.

Molecular Properties

Compound Name3-[cyclobutyl(difluoro)methyl]pentanoic acid
PubChem CID90835758
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name3-[cyclobutyl(difluoro)methyl]pentanoic acid
SMILESCCC(CC(=O)O)C(F)(F)C1CCC1
InChIInChI=1S/C10H16F2O2/c1-2-7(6-9(13)14)10(11,12)8-4-3-5-8/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeyKBAIWOQHOXGYFQ-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(difluoro)methyl]pentanoic acid?
The IUPAC name of 3-[cyclobutyl(difluoro)methyl]pentanoic acid (CID 90835758) is 3-[cyclobutyl(difluoro)methyl]pentanoic acid.
What is the SMILES notation for 3-[cyclobutyl(difluoro)methyl]pentanoic acid?
The canonical SMILES for 3-[cyclobutyl(difluoro)methyl]pentanoic acid is CCC(CC(=O)O)C(F)(F)C1CCC1.
What is the InChIKey of 3-[cyclobutyl(difluoro)methyl]pentanoic acid?
The InChIKey is KBAIWOQHOXGYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-2-7(6-9(13)14)10(11,12)8-4-3-5-8/h7-8H,2-6H2,1H3,(H,13,14).
What are the key properties of 3-[cyclobutyl(difluoro)methyl]pentanoic acid?
3-[cyclobutyl(difluoro)methyl]pentanoic acid has a molecular weight of 206.23 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(difluoro)methyl]pentanoic acid is sourced from PubChem (CID 90835758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).