9-(4-fluorophenyl)-N-methyl-6-oxaspiro[4.5]decan-8-amine

C16H22FNO — CID 172816136

IUPAC9-(4-fluorophenyl)-N-methyl-6-oxaspiro[4.5]decan-8-amine
SMILESCNC1COC2(CCCC2)CC1c1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c1-18-15-11-19-16(8-2-3-9-16)10-14(15)12-4-6-13(17)7-5-12/h4-7,14-15,18H,2-3,8-11H2,1H3
InChIKeySVGANEGZZJABQW-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.23
Rot. Bonds2

About 9-(4-fluorophenyl)-N-methyl-6-oxaspiro[4.5]decan-8-amine

9-(4-fluorophenyl)-N-methyl-6-oxaspiro[4.5]decan-8-amine (PubChem CID 172816136) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-methyl-6-oxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name9-(4-fluorophenyl)-N-methyl-6-oxaspiro[4.5]decan-8-amine
PubChem CID172816136
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name9-(4-fluorophenyl)-N-methyl-6-oxaspiro[4.5]decan-8-amine
SMILESCNC1COC2(CCCC2)CC1c1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c1-18-15-11-19-16(8-2-3-9-16)10-14(15)12-4-6-13(17)7-5-12/h4-7,14-15,18H,2-3,8-11H2,1H3
InChIKeySVGANEGZZJABQW-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-N-methyl-6-oxaspiro[4.5]decan-8-amine?
The IUPAC name of 9-(4-fluorophenyl)-N-methyl-6-oxaspiro[4.5]decan-8-amine (CID 172816136) is 9-(4-fluorophenyl)-N-methyl-6-oxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 9-(4-fluorophenyl)-N-methyl-6-oxaspiro[4.5]decan-8-amine?
The canonical SMILES for 9-(4-fluorophenyl)-N-methyl-6-oxaspiro[4.5]decan-8-amine is CNC1COC2(CCCC2)CC1c1ccc(F)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-N-methyl-6-oxaspiro[4.5]decan-8-amine?
The InChIKey is SVGANEGZZJABQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-18-15-11-19-16(8-2-3-9-16)10-14(15)12-4-6-13(17)7-5-12/h4-7,14-15,18H,2-3,8-11H2,1H3.
What are the key properties of 9-(4-fluorophenyl)-N-methyl-6-oxaspiro[4.5]decan-8-amine?
9-(4-fluorophenyl)-N-methyl-6-oxaspiro[4.5]decan-8-amine has a molecular weight of 263.36 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-N-methyl-6-oxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 172816136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).