(3,3-difluorocyclopentyl) 2-methylpropanoate

C9H14F2O2 — CID 155710616

IUPAC(3,3-difluorocyclopentyl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCC(F)(F)C1
InChIInChI=1S/C9H14F2O2/c1-6(2)8(12)13-7-3-4-9(10,11)5-7/h6-7H,3-5H2,1-2H3
InChIKeyOJFVFZPDNRMVGI-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.37
Rot. Bonds2

About (3,3-difluorocyclopentyl) 2-methylpropanoate

(3,3-difluorocyclopentyl) 2-methylpropanoate (PubChem CID 155710616) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl) 2-methylpropanoate.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl) 2-methylpropanoate
PubChem CID155710616
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name(3,3-difluorocyclopentyl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCC(F)(F)C1
InChIInChI=1S/C9H14F2O2/c1-6(2)8(12)13-7-3-4-9(10,11)5-7/h6-7H,3-5H2,1-2H3
InChIKeyOJFVFZPDNRMVGI-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl) 2-methylpropanoate?
The IUPAC name of (3,3-difluorocyclopentyl) 2-methylpropanoate (CID 155710616) is (3,3-difluorocyclopentyl) 2-methylpropanoate.
What is the SMILES notation for (3,3-difluorocyclopentyl) 2-methylpropanoate?
The canonical SMILES for (3,3-difluorocyclopentyl) 2-methylpropanoate is CC(C)C(=O)OC1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclopentyl) 2-methylpropanoate?
The InChIKey is OJFVFZPDNRMVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c1-6(2)8(12)13-7-3-4-9(10,11)5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of (3,3-difluorocyclopentyl) 2-methylpropanoate?
(3,3-difluorocyclopentyl) 2-methylpropanoate has a molecular weight of 192.20 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl) 2-methylpropanoate is sourced from PubChem (CID 155710616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).