3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol

C16H19F3O2 — CID 66368938

IUPAC3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol
SMILESOC1CC(Oc2ccccc2C(F)(F)F)C12CCCCC2
InChIInChI=1S/C16H19F3O2/c17-16(18,19)11-6-2-3-7-12(11)21-14-10-13(20)15(14)8-4-1-5-9-15/h2-3,6-7,13-14,20H,1,4-5,8-10H2
InChIKeyQHKNENKAPPHVIH-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.17
Rot. Bonds2

About 3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol

3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol (PubChem CID 66368938) has the molecular formula C16H19F3O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol
PubChem CID66368938
Molecular FormulaC16H19F3O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol
SMILESOC1CC(Oc2ccccc2C(F)(F)F)C12CCCCC2
InChIInChI=1S/C16H19F3O2/c17-16(18,19)11-6-2-3-7-12(11)21-14-10-13(20)15(14)8-4-1-5-9-15/h2-3,6-7,13-14,20H,1,4-5,8-10H2
InChIKeyQHKNENKAPPHVIH-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-3-methylphenoxy)spiro[3.6]decan-1-ol
CID 107662269
2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol
CID 66368731
3-(2,3-dimethylphenoxy)spiro[3.5]nonan-1-ol
CID 66367281
3-(2-nitrophenoxy)spiro[3.5]nonan-1-ol
CID 66366465
1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65213996
3-(2-bromo-4-methylphenoxy)spiro[3.6]decan-1-ol
CID 66367535
3-phenylmethoxyspiro[3.5]nonan-1-ol
CID 66366074
3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol
CID 66345231
2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine
CID 66359569
3-(5-bromo-2-chlorophenoxy)spiro[3.4]octan-1-ol
CID 66343757
3-[(2-bromophenyl)methoxy]spiro[3.6]decan-1-ol
CID 82826223
2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol
CID 107942467

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol?
The IUPAC name of 3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol (CID 66368938) is 3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol?
The canonical SMILES for 3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol is OC1CC(Oc2ccccc2C(F)(F)F)C12CCCCC2.
What is the InChIKey of 3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol?
The InChIKey is QHKNENKAPPHVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O2/c17-16(18,19)11-6-2-3-7-12(11)21-14-10-13(20)15(14)8-4-1-5-9-15/h2-3,6-7,13-14,20H,1,4-5,8-10H2.
What are the key properties of 3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol?
3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol has a molecular weight of 300.32 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenoxy]spiro[3.5]nonan-1-ol is sourced from PubChem (CID 66368938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).