(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone

C16H18F2O2 — CID 79913940

IUPAC(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H18F2O2/c17-13-7-12(8-14(18)9-13)15(19)11-3-6-20-16(10-11)4-1-2-5-16/h7-9,11H,1-6,10H2
InChIKeyYYGCFJJLRVYRKM-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.89
Rot. Bonds2

About (3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone

(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone (PubChem CID 79913940) has the molecular formula C16H18F2O2 and a molecular weight of 280.31 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
PubChem CID79913940
Molecular FormulaC16H18F2O2
Molecular Weight280.31 g/mol
Exact Mass280.13
IUPAC Name(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H18F2O2/c17-13-7-12(8-14(18)9-13)15(19)11-3-6-20-16(10-11)4-1-2-5-16/h7-9,11H,1-6,10H2
InChIKeyYYGCFJJLRVYRKM-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-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

(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
(3-bromo-5-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79909445
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79912683
(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79921615
(5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787732
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789
(4-methylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787795
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669
(4-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787374
(4-fluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79912433
(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912890

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone (CID 79913940) is (3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone is O=C(c1cc(F)cc(F)c1)C1CCOC2(CCCC2)C1.
What is the InChIKey of (3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The InChIKey is YYGCFJJLRVYRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2O2/c17-13-7-12(8-14(18)9-13)15(19)11-3-6-20-16(10-11)4-1-2-5-16/h7-9,11H,1-6,10H2.
What are the key properties of (3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone has a molecular weight of 280.31 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 79913940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).