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

C15H17FO2 — CID 79913116

IUPAC(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(c1cccc(F)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H17FO2/c16-13-4-1-3-11(9-13)14(17)12-5-8-18-15(10-12)6-2-7-15/h1,3-4,9,12H,2,5-8,10H2
InChIKeyKCJFBJJVUNDNAG-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.36
Rot. Bonds2

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

(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 79913116) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is (3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID79913116
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(c1cccc(F)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H17FO2/c16-13-4-1-3-11(9-13)14(17)12-5-8-18-15(10-12)6-2-7-15/h1,3-4,9,12H,2,5-8,10H2
InChIKeyKCJFBJJVUNDNAG-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912890
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
(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
2-(3-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79909417
(3-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79912670
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789
(2,6-difluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79909705
(4-methylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787795
(2-bromo-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787330
2,3-dihydro-1H-isoindol-5-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116612912

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 79913116) is (3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is O=C(c1cccc(F)c1)C1CCOC2(CCC2)C1.
What is the InChIKey of (3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is KCJFBJJVUNDNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2/c16-13-4-1-3-11(9-13)14(17)12-5-8-18-15(10-12)6-2-7-15/h1,3-4,9,12H,2,5-8,10H2.
What are the key properties of (3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 248.30 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 79913116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).