(3S)-3-fluoro-3-methyl-2-(oxetan-3-ylmethyl)oxetane

C8H13FO2 — CID 134557159

IUPAC(3S)-3-fluoro-3-methyl-2-(oxetan-3-ylmethyl)oxetane
SMILESC[C@]1(F)COC1CC1COC1
InChIInChI=1S/C8H13FO2/c1-8(9)5-11-7(8)2-6-3-10-4-6/h6-7H,2-5H2,1H3/t7?,8-/m0/s1
InChIKeyYTEBGDWIMRFSMF-MQWKRIRWSA-N
MW160.19 g/mol
LogP1.15
Rot. Bonds2

About (3S)-3-fluoro-3-methyl-2-(oxetan-3-ylmethyl)oxetane

(3S)-3-fluoro-3-methyl-2-(oxetan-3-ylmethyl)oxetane (PubChem CID 134557159) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is (3S)-3-fluoro-3-methyl-2-(oxetan-3-ylmethyl)oxetane.

Molecular Properties

Compound Name(3S)-3-fluoro-3-methyl-2-(oxetan-3-ylmethyl)oxetane
PubChem CID134557159
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name(3S)-3-fluoro-3-methyl-2-(oxetan-3-ylmethyl)oxetane
SMILESC[C@]1(F)COC1CC1COC1
InChIInChI=1S/C8H13FO2/c1-8(9)5-11-7(8)2-6-3-10-4-6/h6-7H,2-5H2,1H3/t7?,8-/m0/s1
InChIKeyYTEBGDWIMRFSMF-MQWKRIRWSA-N
XLogP1.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-3-methyl-2-(oxetan-3-ylmethyl)oxetane?
The IUPAC name of (3S)-3-fluoro-3-methyl-2-(oxetan-3-ylmethyl)oxetane (CID 134557159) is (3S)-3-fluoro-3-methyl-2-(oxetan-3-ylmethyl)oxetane.
What is the SMILES notation for (3S)-3-fluoro-3-methyl-2-(oxetan-3-ylmethyl)oxetane?
The canonical SMILES for (3S)-3-fluoro-3-methyl-2-(oxetan-3-ylmethyl)oxetane is C[C@]1(F)COC1CC1COC1.
What is the InChIKey of (3S)-3-fluoro-3-methyl-2-(oxetan-3-ylmethyl)oxetane?
The InChIKey is YTEBGDWIMRFSMF-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H13FO2/c1-8(9)5-11-7(8)2-6-3-10-4-6/h6-7H,2-5H2,1H3/t7?,8-/m0/s1.
What are the key properties of (3S)-3-fluoro-3-methyl-2-(oxetan-3-ylmethyl)oxetane?
(3S)-3-fluoro-3-methyl-2-(oxetan-3-ylmethyl)oxetane has a molecular weight of 160.19 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-3-methyl-2-(oxetan-3-ylmethyl)oxetane is sourced from PubChem (CID 134557159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).