(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone

C16H18F2O2 — CID 79921615

IUPAC(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1cc(F)ccc1F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H18F2O2/c17-12-3-4-14(18)13(9-12)15(19)11-5-8-20-16(10-11)6-1-2-7-16/h3-4,9,11H,1-2,5-8,10H2
InChIKeyKACIITUJLCWYPA-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.89
Rot. Bonds2

About (2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone

(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone (PubChem CID 79921615) has the molecular formula C16H18F2O2 and a molecular weight of 280.31 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
PubChem CID79921615
Molecular FormulaC16H18F2O2
Molecular Weight280.31 g/mol
Exact Mass280.13
IUPAC Name(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESO=C(c1cc(F)ccc1F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H18F2O2/c17-12-3-4-14(18)13(9-12)15(19)11-5-8-20-16(10-11)6-1-2-7-16/h3-4,9,11H,1-2,5-8,10H2
InChIKeyKACIITUJLCWYPA-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

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Related Compounds

(2-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787788
(5-chloro-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 114885073
(2-fluoro-4-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787768
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787260
(2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79922329
(2-bromo-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787330
(3-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79912683
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide
CID 99972757
(3-chloro-4-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79908902

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone (CID 79921615) is (2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone is O=C(c1cc(F)ccc1F)C1CCOC2(CCCC2)C1.
What is the InChIKey of (2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The InChIKey is KACIITUJLCWYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2O2/c17-12-3-4-14(18)13(9-12)15(19)11-5-8-20-16(10-11)6-1-2-7-16/h3-4,9,11H,1-2,5-8,10H2.
What are the key properties of (2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
(2,5-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 (2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 79921615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).