(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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Related Compounds

(3,3-difluorocyclopentyl) N-methylcarbamate
CID 118332585
cyclopropyl 2-methylpropanoate
CID 54511576
[(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate
CID 18442884
(3,3-dimethylcyclobutyl) 2-methylpropanoate
CID 130735356
(3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate
CID 18442883
(4,4-difluorocyclohexyl) 2-methylbutanoate
CID 167187480
(3,3-difluorocyclopentyl) N-(disulfanyl)carbamate
CID 130306507
[2,3,4,5,6-pentakis(2-methylpropanoyloxy)cyclohexyl] 2-methylpropanoate
CID 4178515
(2,2-dibromocyclopropyl) 2-methylpropanoate
CID 134894365
bis(cyclobutyl 2-methylpropanoate);propan-2-yl 2-methylpropanoate
CID 160656164
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544
(3-oxocyclopentyl) 2-methylpropanoate
CID 118886289

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).