(2S)-2-(2,2-difluoroethyl)-4-fluorooxane

C7H11F3O — CID 130286323

IUPAC(2S)-2-(2,2-difluoroethyl)-4-fluorooxane
SMILESFC(F)C[C@@H]1CC(F)CCO1
InChIInChI=1S/C7H11F3O/c8-5-1-2-11-6(3-5)4-7(9)10/h5-7H,1-4H2/t5?,6-/m0/s1
InChIKeyISLPTLWPOMHNLZ-GDVGLLTNSA-N
MW168.16 g/mol
LogP2.16
Rot. Bonds2

About (2S)-2-(2,2-difluoroethyl)-4-fluorooxane

(2S)-2-(2,2-difluoroethyl)-4-fluorooxane (PubChem CID 130286323) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is (2S)-2-(2,2-difluoroethyl)-4-fluorooxane.

Molecular Properties

Compound Name(2S)-2-(2,2-difluoroethyl)-4-fluorooxane
PubChem CID130286323
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name(2S)-2-(2,2-difluoroethyl)-4-fluorooxane
SMILESFC(F)C[C@@H]1CC(F)CCO1
InChIInChI=1S/C7H11F3O/c8-5-1-2-11-6(3-5)4-7(9)10/h5-7H,1-4H2/t5?,6-/m0/s1
InChIKeyISLPTLWPOMHNLZ-GDVGLLTNSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-difluoroethyl)-4-fluorooxane?
The IUPAC name of (2S)-2-(2,2-difluoroethyl)-4-fluorooxane (CID 130286323) is (2S)-2-(2,2-difluoroethyl)-4-fluorooxane.
What is the SMILES notation for (2S)-2-(2,2-difluoroethyl)-4-fluorooxane?
The canonical SMILES for (2S)-2-(2,2-difluoroethyl)-4-fluorooxane is FC(F)C[C@@H]1CC(F)CCO1.
What is the InChIKey of (2S)-2-(2,2-difluoroethyl)-4-fluorooxane?
The InChIKey is ISLPTLWPOMHNLZ-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H11F3O/c8-5-1-2-11-6(3-5)4-7(9)10/h5-7H,1-4H2/t5?,6-/m0/s1.
What are the key properties of (2S)-2-(2,2-difluoroethyl)-4-fluorooxane?
(2S)-2-(2,2-difluoroethyl)-4-fluorooxane has a molecular weight of 168.16 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-difluoroethyl)-4-fluorooxane is sourced from PubChem (CID 130286323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).