(6S)-6-fluoro-1,4-dioxaspiro[4.5]decane

C8H13FO2 — CID 15939463

IUPAC(6S)-6-fluoro-1,4-dioxaspiro[4.5]decane
SMILESF[C@H]1CCCCC12OCCO2
InChIInChI=1S/C8H13FO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h7H,1-6H2/t7-/m0/s1
InChIKeyDJTDCESWZBAQAC-ZETCQYMHSA-N
MW160.19 g/mol
LogP1.64
Rot. Bonds

About (6S)-6-fluoro-1,4-dioxaspiro[4.5]decane

(6S)-6-fluoro-1,4-dioxaspiro[4.5]decane (PubChem CID 15939463) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is (6S)-6-fluoro-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(6S)-6-fluoro-1,4-dioxaspiro[4.5]decane
PubChem CID15939463
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name(6S)-6-fluoro-1,4-dioxaspiro[4.5]decane
SMILESF[C@H]1CCCCC12OCCO2
InChIInChI=1S/C8H13FO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h7H,1-6H2/t7-/m0/s1
InChIKeyDJTDCESWZBAQAC-ZETCQYMHSA-N
XLogP1.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dioxaspiro[4.5]decane, 2-methyl-
CID 20845
1,4-Dioxaspiro(4.5)decane
CID 9093
8,8-Difluoro-1,4-dioxaspiro[4.5]decane
CID 22225014
6-Fluoro-1,4-dioxaspiro[4.5]decane
CID 13215123
8-Iodo-1,4-dioxaspiro[4.5]decane
CID 11021879
(3S)-3-methyl-1,4-dioxaspiro[4.5]decane
CID 40489578
8-Fluoro-1,4-dioxaspiro[4.5]decane
CID 56605200
1,4-Dioxaspiro[4.5]decane, 8-(trifluoromethoxy)-
CID 59565503
8-(2,2-Difluoroethoxy)-1,4-dioxaspiro[4.5]decane
CID 104455418
3,8-Difluoro-1,4-dioxaspiro[4.5]decane
CID 117626918
(3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane
CID 135374794
2-Ethyl-2-(1-fluoropropyl)-1,3-dioxolane
CID 178156908

Frequently Asked Questions

What is the IUPAC name of (6S)-6-fluoro-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (6S)-6-fluoro-1,4-dioxaspiro[4.5]decane (CID 15939463) is (6S)-6-fluoro-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (6S)-6-fluoro-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (6S)-6-fluoro-1,4-dioxaspiro[4.5]decane is F[C@H]1CCCCC12OCCO2.
What is the InChIKey of (6S)-6-fluoro-1,4-dioxaspiro[4.5]decane?
The InChIKey is DJTDCESWZBAQAC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13FO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h7H,1-6H2/t7-/m0/s1.
What are the key properties of (6S)-6-fluoro-1,4-dioxaspiro[4.5]decane?
(6S)-6-fluoro-1,4-dioxaspiro[4.5]decane has a molecular weight of 160.19 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-fluoro-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 15939463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).