2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane

C16H21FO2 — CID 102901535

IUPAC2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
SMILESCc1cc(F)ccc1OCC1CCC2(CCCC2)O1
InChIInChI=1S/C16H21FO2/c1-12-10-13(17)4-5-15(12)18-11-14-6-9-16(19-14)7-2-3-8-16/h4-5,10,14H,2-3,6-9,11H2,1H3
InChIKeyVEGYRIWCGNPTFI-UHFFFAOYSA-N
MW264.34 g/mol
LogP4.00
Rot. Bonds3

About 2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane

2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane (PubChem CID 102901535) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
PubChem CID102901535
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
SMILESCc1cc(F)ccc1OCC1CCC2(CCCC2)O1
InChIInChI=1S/C16H21FO2/c1-12-10-13(17)4-5-15(12)18-11-14-6-9-16(19-14)7-2-3-8-16/h4-5,10,14H,2-3,6-9,11H2,1H3
InChIKeyVEGYRIWCGNPTFI-UHFFFAOYSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]boronic acid
CID 102898830
5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896169
4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896120
3-methyl-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896191
4-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896119
[5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
CID 107698517
(1S)-1-[3-methyl-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
CID 102898677
2-[(2-bromo-4-methylphenoxy)methyl]-1-oxaspiro[4.5]decane
CID 102898163
2-[(5-bromo-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 107284220
[6-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2-pyridinyl]methanol
CID 102898657
5-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzoic acid
CID 102896216
[2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine
CID 102896074

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane?
The IUPAC name of 2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane (CID 102901535) is 2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane?
The canonical SMILES for 2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane is Cc1cc(F)ccc1OCC1CCC2(CCCC2)O1.
What is the InChIKey of 2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane?
The InChIKey is VEGYRIWCGNPTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c1-12-10-13(17)4-5-15(12)18-11-14-6-9-16(19-14)7-2-3-8-16/h4-5,10,14H,2-3,6-9,11H2,1H3.
What are the key properties of 2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane?
2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane has a molecular weight of 264.34 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 102901535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).