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

C10H15FO3 — CID 170942539

IUPAC(7S,8S)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]decane-7-carbaldehyde
SMILESC[C@@]1(C=O)CC2(CC[C@@H]1F)OCCO2
InChIInChI=1S/C10H15FO3/c1-9(7-12)6-10(3-2-8(9)11)13-4-5-14-10/h7-8H,2-6H2,1H3/t8-,9-/m0/s1
InChIKeyYMBVMKIGVXBULS-IUCAKERBSA-N
MW202.22 g/mol
LogP1.46
Rot. Bonds1

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

(7S,8S)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]decane-7-carbaldehyde (PubChem CID 170942539) has the molecular formula C10H15FO3 and a molecular weight of 202.22 g/mol. Its IUPAC name is (7S,8S)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]decane-7-carbaldehyde.

Molecular Properties

Compound Name(7S,8S)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]decane-7-carbaldehyde
PubChem CID170942539
Molecular FormulaC10H15FO3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name(7S,8S)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]decane-7-carbaldehyde
SMILESC[C@@]1(C=O)CC2(CC[C@@H]1F)OCCO2
InChIInChI=1S/C10H15FO3/c1-9(7-12)6-10(3-2-8(9)11)13-4-5-14-10/h7-8H,2-6H2,1H3/t8-,9-/m0/s1
InChIKeyYMBVMKIGVXBULS-IUCAKERBSA-N
XLogP1.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7S,8S)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]decane-7-carbaldehyde?
The IUPAC name of (7S,8S)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]decane-7-carbaldehyde (CID 170942539) is (7S,8S)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]decane-7-carbaldehyde.
What is the SMILES notation for (7S,8S)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]decane-7-carbaldehyde?
The canonical SMILES for (7S,8S)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]decane-7-carbaldehyde is C[C@@]1(C=O)CC2(CC[C@@H]1F)OCCO2.
What is the InChIKey of (7S,8S)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]decane-7-carbaldehyde?
The InChIKey is YMBVMKIGVXBULS-IUCAKERBSA-N. The full InChI is InChI=1S/C10H15FO3/c1-9(7-12)6-10(3-2-8(9)11)13-4-5-14-10/h7-8H,2-6H2,1H3/t8-,9-/m0/s1.
What are the key properties of (7S,8S)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]decane-7-carbaldehyde?
(7S,8S)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]decane-7-carbaldehyde has a molecular weight of 202.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]decane-7-carbaldehyde is sourced from PubChem (CID 170942539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).