(3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

C14H20F2O2 — CID 114215606

IUPAC(3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(C1CCC(F)(F)C1)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H20F2O2/c15-14(16)6-2-10(9-14)12(17)11-3-7-18-13(8-11)4-1-5-13/h10-11H,1-9H2
InChIKeyNNXCYZOUYLASBF-UHFFFAOYSA-N
MW258.31 g/mol
LogP3.34
Rot. Bonds2

About (3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

(3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 114215606) has the molecular formula C14H20F2O2 and a molecular weight of 258.31 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID114215606
Molecular FormulaC14H20F2O2
Molecular Weight258.31 g/mol
Exact Mass258.14
IUPAC Name(3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(C1CCC(F)(F)C1)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H20F2O2/c15-14(16)6-2-10(9-14)12(17)11-3-7-18-13(8-11)4-1-5-13/h10-11H,1-9H2
InChIKeyNNXCYZOUYLASBF-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787700
(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 107003969
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)prop-2-en-1-one
CID 103446328
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 80609661
cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79913237
(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116598404
2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 103451398
(1-aminocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116558699
(4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116560515
(2-ethyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 114106570

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of (3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 114215606) is (3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for (3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is O=C(C1CCC(F)(F)C1)C1CCOC2(CCC2)C1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is NNXCYZOUYLASBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O2/c15-14(16)6-2-10(9-14)12(17)11-3-7-18-13(8-11)4-1-5-13/h10-11H,1-9H2.
What are the key properties of (3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
(3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 258.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 114215606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).