8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

C16H22FNO2 — CID 12595626

IUPAC8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2ccc(F)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C16H22FNO2/c1-18(2)15(13-3-5-14(17)6-4-13)7-9-16(10-8-15)19-11-12-20-16/h3-6H,7-12H2,1-2H3
InChIKeyFEROEIYATYKWOB-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.90
Rot. Bonds2

About 8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 12595626) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID12595626
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(C)C1(c2ccc(F)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C16H22FNO2/c1-18(2)15(13-3-5-14(17)6-4-13)7-9-16(10-8-15)19-11-12-20-16/h3-6H,7-12H2,1-2H3
InChIKeyFEROEIYATYKWOB-UHFFFAOYSA-N
XLogP2.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 12595611
CID 12595611
CID 12595614
CID 12595614
CID 12595615
CID 12595615
CID 12595617
CID 12595617
CID 12595631
CID 12595631
CID 12595636
CID 12595636
CID 12557253
CID 12557253
CID 12595619
CID 12595619
CID 12595627
CID 12595627
CID 12595629
CID 12595629
CID 11818538
CID 11818538
CID 21670167
CID 21670167

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 12595626) is 8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is CN(C)C1(c2ccc(F)cc2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is FEROEIYATYKWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-18(2)15(13-3-5-14(17)6-4-13)7-9-16(10-8-15)19-11-12-20-16/h3-6H,7-12H2,1-2H3.
What are the key properties of 8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine?
8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 279.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 12595626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).