4-(fluoromethyl)-6,10-dioxa-2-azaspiro[4.5]decane

C8H14FNO2 — CID 19883378

IUPAC4-(fluoromethyl)-6,10-dioxa-2-azaspiro[4.5]decane
SMILESFCC1CNCC12OCCCO2
InChIInChI=1S/C8H14FNO2/c9-4-7-5-10-6-8(7)11-2-1-3-12-8/h7,10H,1-6H2
InChIKeyLDTOWPODZAMRKS-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.31
Rot. Bonds1

About 4-(fluoromethyl)-6,10-dioxa-2-azaspiro[4.5]decane

4-(fluoromethyl)-6,10-dioxa-2-azaspiro[4.5]decane (PubChem CID 19883378) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 4-(fluoromethyl)-6,10-dioxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-(fluoromethyl)-6,10-dioxa-2-azaspiro[4.5]decane
PubChem CID19883378
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name4-(fluoromethyl)-6,10-dioxa-2-azaspiro[4.5]decane
SMILESFCC1CNCC12OCCCO2
InChIInChI=1S/C8H14FNO2/c9-4-7-5-10-6-8(7)11-2-1-3-12-8/h7,10H,1-6H2
InChIKeyLDTOWPODZAMRKS-UHFFFAOYSA-N
XLogP0.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-6,10-dioxa-2-azaspiro[4.5]decane?
The IUPAC name of 4-(fluoromethyl)-6,10-dioxa-2-azaspiro[4.5]decane (CID 19883378) is 4-(fluoromethyl)-6,10-dioxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 4-(fluoromethyl)-6,10-dioxa-2-azaspiro[4.5]decane?
The canonical SMILES for 4-(fluoromethyl)-6,10-dioxa-2-azaspiro[4.5]decane is FCC1CNCC12OCCCO2.
What is the InChIKey of 4-(fluoromethyl)-6,10-dioxa-2-azaspiro[4.5]decane?
The InChIKey is LDTOWPODZAMRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c9-4-7-5-10-6-8(7)11-2-1-3-12-8/h7,10H,1-6H2.
What are the key properties of 4-(fluoromethyl)-6,10-dioxa-2-azaspiro[4.5]decane?
4-(fluoromethyl)-6,10-dioxa-2-azaspiro[4.5]decane has a molecular weight of 175.20 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-6,10-dioxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 19883378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).