(3R,4S)-3-fluoro-4-(2-methylpropoxy)oxane

C9H17FO2 — CID 146260961

IUPAC(3R,4S)-3-fluoro-4-(2-methylpropoxy)oxane
SMILESCC(C)CO[C@H]1CCOC[C@H]1F
InChIInChI=1S/C9H17FO2/c1-7(2)5-12-9-3-4-11-6-8(9)10/h7-9H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyGWMOPMCOTQGMFM-BDAKNGLRSA-N
MW176.23 g/mol
LogP1.79
Rot. Bonds3

About (3R,4S)-3-fluoro-4-(2-methylpropoxy)oxane

(3R,4S)-3-fluoro-4-(2-methylpropoxy)oxane (PubChem CID 146260961) has the molecular formula C9H17FO2 and a molecular weight of 176.23 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-4-(2-methylpropoxy)oxane.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-4-(2-methylpropoxy)oxane
PubChem CID146260961
Molecular FormulaC9H17FO2
Molecular Weight176.23 g/mol
Exact Mass176.12
IUPAC Name(3R,4S)-3-fluoro-4-(2-methylpropoxy)oxane
SMILESCC(C)CO[C@H]1CCOC[C@H]1F
InChIInChI=1S/C9H17FO2/c1-7(2)5-12-9-3-4-11-6-8(9)10/h7-9H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyGWMOPMCOTQGMFM-BDAKNGLRSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-4-(2-methylpropoxy)oxane?
The IUPAC name of (3R,4S)-3-fluoro-4-(2-methylpropoxy)oxane (CID 146260961) is (3R,4S)-3-fluoro-4-(2-methylpropoxy)oxane.
What is the SMILES notation for (3R,4S)-3-fluoro-4-(2-methylpropoxy)oxane?
The canonical SMILES for (3R,4S)-3-fluoro-4-(2-methylpropoxy)oxane is CC(C)CO[C@H]1CCOC[C@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-4-(2-methylpropoxy)oxane?
The InChIKey is GWMOPMCOTQGMFM-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17FO2/c1-7(2)5-12-9-3-4-11-6-8(9)10/h7-9H,3-6H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-4-(2-methylpropoxy)oxane?
(3R,4S)-3-fluoro-4-(2-methylpropoxy)oxane has a molecular weight of 176.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-4-(2-methylpropoxy)oxane is sourced from PubChem (CID 146260961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).