8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane

C10H17FO2 — CID 90092927

IUPAC8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane
SMILESCC1(CF)CCC2(CC1)OCCO2
InChIInChI=1S/C10H17FO2/c1-9(8-11)2-4-10(5-3-9)12-6-7-13-10/h2-8H2,1H3
InChIKeyRVPKWJPCYPHXLN-UHFFFAOYSA-N
MW188.24 g/mol
LogP2.28
Rot. Bonds1

About 8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane

8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane (PubChem CID 90092927) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is 8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane
PubChem CID90092927
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Name8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane
SMILESCC1(CF)CCC2(CC1)OCCO2
InChIInChI=1S/C10H17FO2/c1-9(8-11)2-4-10(5-3-9)12-6-7-13-10/h2-8H2,1H3
InChIKeyRVPKWJPCYPHXLN-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dioxaspiro[4.5]decane, 8-(1,1-dimethylethyl)-
CID 75208
1,4-Dioxaspiro(4.5)decane, 8-(1,1-dimethylethyl)-2-methyl-
CID 112488
8-(1,1-Dimethylethyl)-2,3-dimethyl-1,4-dioxaspiro[4.5]decane
CID 6454394
8-Methyl-1,4-dioxaspiro[4.5]decane
CID 10953772
1,4-Dioxaspiro[4.5]decane, 7,7,9-trimethyl-
CID 102527
2,3,8-Trimethyl-1,4-dioxaspiro[4.5]decane
CID 221908
8-Ethyl-1,4-dioxaspiro[4.5]decane
CID 21016596
8,8-Dimethyl-1,4-dioxaspiro[4.5]decane
CID 57602903
(8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane
CID 54046014
7,9-Difluoro-8-propyl-1,4-dioxaspiro[4.5]decane
CID 54213035
8,8-Bis(fluoromethyl)-1,4-dioxaspiro[4.5]decane
CID 67169965
2-(1,1-Difluoro-2,2-dimethylbutyl)-2-ethyl-1,3-dioxolane
CID 71056909

Frequently Asked Questions

What is the IUPAC name of 8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane (CID 90092927) is 8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane is CC1(CF)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is RVPKWJPCYPHXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2/c1-9(8-11)2-4-10(5-3-9)12-6-7-13-10/h2-8H2,1H3.
What are the key properties of 8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane?
8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 188.24 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(fluoromethyl)-8-methyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 90092927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).