(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)methanol

C9H15FO3 — CID 67225989

IUPAC(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)methanol
SMILESOCC1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C9H15FO3/c10-8(7-11)1-3-9(4-2-8)12-5-6-13-9/h11H,1-7H2
InChIKeyINVQRGJXWSTBBN-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.00
Rot. Bonds1

About (8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)methanol

(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)methanol (PubChem CID 67225989) has the molecular formula C9H15FO3 and a molecular weight of 190.21 g/mol. Its IUPAC name is (8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)methanol.

Molecular Properties

Compound Name(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)methanol
PubChem CID67225989
Molecular FormulaC9H15FO3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)methanol
SMILESOCC1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C9H15FO3/c10-8(7-11)1-3-9(4-2-8)12-5-6-13-9/h11H,1-7H2
InChIKeyINVQRGJXWSTBBN-UHFFFAOYSA-N
XLogP1.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)methanol?
The IUPAC name of (8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)methanol (CID 67225989) is (8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)methanol.
What is the SMILES notation for (8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)methanol?
The canonical SMILES for (8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)methanol is OCC1(F)CCC2(CC1)OCCO2.
What is the InChIKey of (8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)methanol?
The InChIKey is INVQRGJXWSTBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3/c10-8(7-11)1-3-9(4-2-8)12-5-6-13-9/h11H,1-7H2.
What are the key properties of (8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)methanol?
(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)methanol has a molecular weight of 190.21 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)methanol is sourced from PubChem (CID 67225989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).