2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane

C16H21F3O3 — CID 10495766

IUPAC2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane
SMILESFC(F)(F)[C@H](COCc1ccccc1)COC1CCCCO1
InChIInChI=1S/C16H21F3O3/c17-16(18,19)14(12-22-15-8-4-5-9-21-15)11-20-10-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15?/m1/s1
InChIKeyICKWOEACMSIQBG-GICMACPYSA-N
MW318.33 g/mol
LogP3.92
Rot. Bonds7

About 2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane

2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane (PubChem CID 10495766) has the molecular formula C16H21F3O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane.

Molecular Properties

Compound Name2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane
PubChem CID10495766
Molecular FormulaC16H21F3O3
Molecular Weight318.33 g/mol
Exact Mass318.14
IUPAC Name2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane
SMILESFC(F)(F)[C@H](COCc1ccccc1)COC1CCCCO1
InChIInChI=1S/C16H21F3O3/c17-16(18,19)14(12-22-15-8-4-5-9-21-15)11-20-10-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15?/m1/s1
InChIKeyICKWOEACMSIQBG-GICMACPYSA-N
XLogP3.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane
CID 174202600
5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
CID 67866640
(5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol
CID 10590934
2-[(3S)-3-methyl-8-phenylmethoxyoctoxy]oxane
CID 11977298
2-[(2R)-3-hexadecoxy-2-phenylmethoxypropoxy]oxane
CID 10323317
2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
CID 165127390
tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane
CID 10885655
2-[2-[3-(4-phenylbutoxymethyl)phenyl]ethoxy]oxane
CID 69438064
2-phenylmethoxyoxetane
CID 23030739
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane?
The IUPAC name of 2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane (CID 10495766) is 2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane.
What is the SMILES notation for 2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane?
The canonical SMILES for 2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane is FC(F)(F)[C@H](COCc1ccccc1)COC1CCCCO1.
What is the InChIKey of 2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane?
The InChIKey is ICKWOEACMSIQBG-GICMACPYSA-N. The full InChI is InChI=1S/C16H21F3O3/c17-16(18,19)14(12-22-15-8-4-5-9-21-15)11-20-10-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15?/m1/s1.
What are the key properties of 2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane?
2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane has a molecular weight of 318.33 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane is sourced from PubChem (CID 10495766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).