(2R)-2-[(2S)-3-ethyloxiran-2-yl]-5,5-difluoro-2-methyloxane

C10H16F2O2 — CID 162596598

IUPAC(2R)-2-[(2S)-3-ethyloxiran-2-yl]-5,5-difluoro-2-methyloxane
SMILESCCC1O[C@@H]1[C@@]1(C)CCC(F)(F)CO1
InChIInChI=1S/C10H16F2O2/c1-3-7-8(14-7)9(2)4-5-10(11,12)6-13-9/h7-8H,3-6H2,1-2H3/t7?,8-,9+/m0/s1
InChIKeyKEDUEDSLJFKMRW-SXNZSPLWSA-N
MW206.23 g/mol
LogP2.37
Rot. Bonds2

About (2R)-2-[(2S)-3-ethyloxiran-2-yl]-5,5-difluoro-2-methyloxane

(2R)-2-[(2S)-3-ethyloxiran-2-yl]-5,5-difluoro-2-methyloxane (PubChem CID 162596598) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is (2R)-2-[(2S)-3-ethyloxiran-2-yl]-5,5-difluoro-2-methyloxane.

Molecular Properties

Compound Name(2R)-2-[(2S)-3-ethyloxiran-2-yl]-5,5-difluoro-2-methyloxane
PubChem CID162596598
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name(2R)-2-[(2S)-3-ethyloxiran-2-yl]-5,5-difluoro-2-methyloxane
SMILESCCC1O[C@@H]1[C@@]1(C)CCC(F)(F)CO1
InChIInChI=1S/C10H16F2O2/c1-3-7-8(14-7)9(2)4-5-10(11,12)6-13-9/h7-8H,3-6H2,1-2H3/t7?,8-,9+/m0/s1
InChIKeyKEDUEDSLJFKMRW-SXNZSPLWSA-N
XLogP2.37
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-3-ethyloxiran-2-yl]-5,5-difluoro-2-methyloxane?
The IUPAC name of (2R)-2-[(2S)-3-ethyloxiran-2-yl]-5,5-difluoro-2-methyloxane (CID 162596598) is (2R)-2-[(2S)-3-ethyloxiran-2-yl]-5,5-difluoro-2-methyloxane.
What is the SMILES notation for (2R)-2-[(2S)-3-ethyloxiran-2-yl]-5,5-difluoro-2-methyloxane?
The canonical SMILES for (2R)-2-[(2S)-3-ethyloxiran-2-yl]-5,5-difluoro-2-methyloxane is CCC1O[C@@H]1[C@@]1(C)CCC(F)(F)CO1.
What is the InChIKey of (2R)-2-[(2S)-3-ethyloxiran-2-yl]-5,5-difluoro-2-methyloxane?
The InChIKey is KEDUEDSLJFKMRW-SXNZSPLWSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-3-7-8(14-7)9(2)4-5-10(11,12)6-13-9/h7-8H,3-6H2,1-2H3/t7?,8-,9+/m0/s1.
What are the key properties of (2R)-2-[(2S)-3-ethyloxiran-2-yl]-5,5-difluoro-2-methyloxane?
(2R)-2-[(2S)-3-ethyloxiran-2-yl]-5,5-difluoro-2-methyloxane has a molecular weight of 206.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-3-ethyloxiran-2-yl]-5,5-difluoro-2-methyloxane is sourced from PubChem (CID 162596598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).