propyl 2-(3,3-difluorocyclobutyl)acetate

C9H14F2O2 — CID 118141045

IUPACpropyl 2-(3,3-difluorocyclobutyl)acetate
SMILESCCCOC(=O)CC1CC(F)(F)C1
InChIInChI=1S/C9H14F2O2/c1-2-3-13-8(12)4-7-5-9(10,11)6-7/h7H,2-6H2,1H3
InChIKeyKUAKSUDOZPASRK-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.38
Rot. Bonds4

About propyl 2-(3,3-difluorocyclobutyl)acetate

propyl 2-(3,3-difluorocyclobutyl)acetate (PubChem CID 118141045) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is propyl 2-(3,3-difluorocyclobutyl)acetate.

Molecular Properties

Compound Namepropyl 2-(3,3-difluorocyclobutyl)acetate
PubChem CID118141045
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Namepropyl 2-(3,3-difluorocyclobutyl)acetate
SMILESCCCOC(=O)CC1CC(F)(F)C1
InChIInChI=1S/C9H14F2O2/c1-2-3-13-8(12)4-7-5-9(10,11)6-7/h7H,2-6H2,1H3
InChIKeyKUAKSUDOZPASRK-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(3,3-difluorocyclobutyl)acetate?
The IUPAC name of propyl 2-(3,3-difluorocyclobutyl)acetate (CID 118141045) is propyl 2-(3,3-difluorocyclobutyl)acetate.
What is the SMILES notation for propyl 2-(3,3-difluorocyclobutyl)acetate?
The canonical SMILES for propyl 2-(3,3-difluorocyclobutyl)acetate is CCCOC(=O)CC1CC(F)(F)C1.
What is the InChIKey of propyl 2-(3,3-difluorocyclobutyl)acetate?
The InChIKey is KUAKSUDOZPASRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c1-2-3-13-8(12)4-7-5-9(10,11)6-7/h7H,2-6H2,1H3.
What are the key properties of propyl 2-(3,3-difluorocyclobutyl)acetate?
propyl 2-(3,3-difluorocyclobutyl)acetate has a molecular weight of 192.20 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(3,3-difluorocyclobutyl)acetate is sourced from PubChem (CID 118141045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).