(2S)-5,5-bis(2-fluoroethyl)-2-methyloxane

C10H18F2O — CID 146428023

IUPAC(2S)-5,5-bis(2-fluoroethyl)-2-methyloxane
SMILESC[C@H]1CCC(CCF)(CCF)CO1
InChIInChI=1S/C10H18F2O/c1-9-2-3-10(4-6-11,5-7-12)8-13-9/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyFFRHFMCJRNMWNT-VIFPVBQESA-N
MW192.25 g/mol
LogP2.89
Rot. Bonds4

About (2S)-5,5-bis(2-fluoroethyl)-2-methyloxane

(2S)-5,5-bis(2-fluoroethyl)-2-methyloxane (PubChem CID 146428023) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is (2S)-5,5-bis(2-fluoroethyl)-2-methyloxane.

Molecular Properties

Compound Name(2S)-5,5-bis(2-fluoroethyl)-2-methyloxane
PubChem CID146428023
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name(2S)-5,5-bis(2-fluoroethyl)-2-methyloxane
SMILESC[C@H]1CCC(CCF)(CCF)CO1
InChIInChI=1S/C10H18F2O/c1-9-2-3-10(4-6-11,5-7-12)8-13-9/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyFFRHFMCJRNMWNT-VIFPVBQESA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-5,5-bis(2-fluoroethyl)-2-methyloxane?
The IUPAC name of (2S)-5,5-bis(2-fluoroethyl)-2-methyloxane (CID 146428023) is (2S)-5,5-bis(2-fluoroethyl)-2-methyloxane.
What is the SMILES notation for (2S)-5,5-bis(2-fluoroethyl)-2-methyloxane?
The canonical SMILES for (2S)-5,5-bis(2-fluoroethyl)-2-methyloxane is C[C@H]1CCC(CCF)(CCF)CO1.
What is the InChIKey of (2S)-5,5-bis(2-fluoroethyl)-2-methyloxane?
The InChIKey is FFRHFMCJRNMWNT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18F2O/c1-9-2-3-10(4-6-11,5-7-12)8-13-9/h9H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-5,5-bis(2-fluoroethyl)-2-methyloxane?
(2S)-5,5-bis(2-fluoroethyl)-2-methyloxane has a molecular weight of 192.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,5-bis(2-fluoroethyl)-2-methyloxane is sourced from PubChem (CID 146428023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).