(8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane

C11H19FO2 — CID 54046014

IUPAC(8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane
SMILESCCC[C@H]1CCC2(CC1F)OCCO2
InChIInChI=1S/C11H19FO2/c1-2-3-9-4-5-11(8-10(9)12)13-6-7-14-11/h9-10H,2-8H2,1H3/t9-,10?/m0/s1
InChIKeyLPQGULRYJMRDCR-RGURZIINSA-N
MW202.27 g/mol
LogP2.67
Rot. Bonds2

About (8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane

(8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane (PubChem CID 54046014) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is (8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane
PubChem CID54046014
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name(8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane
SMILESCCC[C@H]1CCC2(CC1F)OCCO2
InChIInChI=1S/C11H19FO2/c1-2-3-9-4-5-11(8-10(9)12)13-6-7-14-11/h9-10H,2-8H2,1H3/t9-,10?/m0/s1
InChIKeyLPQGULRYJMRDCR-RGURZIINSA-N
XLogP2.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dioxaspiro(4.5)decane-3-methanol, 6-methyl-
CID 45280
1,4-Dioxaspiro(4.5)decane-3-methanol, 8-methyl-
CID 45282
2-(1,4-Dioxaspiro(4.5)decan-8-yl)ethan-1-ol
CID 11805458
2-(2-Cyclohexylethyl)-1,3-dioxolane
CID 910866
8-(Difluoromethyl)-1,4-dioxaspiro[4.5]decane
CID 164674620
8-Methyl-1,4-dioxaspiro[4.5]decane
CID 10953772
2,3,8-Trimethyl-1,4-dioxaspiro[4.5]decane
CID 221908
6-Methyl-1,4-dioxaspiro[4.5]decane
CID 291808
4-[[Cyclohexyl(difluoro)methoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 176426585
6,10-Dimethyl-1,4-dioxaspiro[4,5]decane
CID 13778953
8-Ethyl-1,4-dioxaspiro[4.5]decane
CID 21016596
8-(1,2,2-Trifluoroethyl)-1,4-dioxaspiro[4.5]decane
CID 21252704

Frequently Asked Questions

What is the IUPAC name of (8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane (CID 54046014) is (8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane is CCC[C@H]1CCC2(CC1F)OCCO2.
What is the InChIKey of (8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is LPQGULRYJMRDCR-RGURZIINSA-N. The full InChI is InChI=1S/C11H19FO2/c1-2-3-9-4-5-11(8-10(9)12)13-6-7-14-11/h9-10H,2-8H2,1H3/t9-,10?/m0/s1.
What are the key properties of (8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane?
(8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 202.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 54046014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).