(2S)-5,5-bis(2-fluoroethyl)-2-propan-2-yloxane

C12H22F2O — CID 155281714

IUPAC(2S)-5,5-bis(2-fluoroethyl)-2-propan-2-yloxane
SMILESCC(C)[C@@H]1CCC(CCF)(CCF)CO1
InChIInChI=1S/C12H22F2O/c1-10(2)11-3-4-12(5-7-13,6-8-14)9-15-11/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyGPCGIMTVXSDYIF-NSHDSACASA-N
MW220.30 g/mol
LogP3.53
Rot. Bonds5

About (2S)-5,5-bis(2-fluoroethyl)-2-propan-2-yloxane

(2S)-5,5-bis(2-fluoroethyl)-2-propan-2-yloxane (PubChem CID 155281714) has the molecular formula C12H22F2O and a molecular weight of 220.30 g/mol. Its IUPAC name is (2S)-5,5-bis(2-fluoroethyl)-2-propan-2-yloxane.

Molecular Properties

Compound Name(2S)-5,5-bis(2-fluoroethyl)-2-propan-2-yloxane
PubChem CID155281714
Molecular FormulaC12H22F2O
Molecular Weight220.30 g/mol
Exact Mass220.16
IUPAC Name(2S)-5,5-bis(2-fluoroethyl)-2-propan-2-yloxane
SMILESCC(C)[C@@H]1CCC(CCF)(CCF)CO1
InChIInChI=1S/C12H22F2O/c1-10(2)11-3-4-12(5-7-13,6-8-14)9-15-11/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyGPCGIMTVXSDYIF-NSHDSACASA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 53.53
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-propan-2-yloxane?
The IUPAC name of (2S)-5,5-bis(2-fluoroethyl)-2-propan-2-yloxane (CID 155281714) is (2S)-5,5-bis(2-fluoroethyl)-2-propan-2-yloxane.
What is the SMILES notation for (2S)-5,5-bis(2-fluoroethyl)-2-propan-2-yloxane?
The canonical SMILES for (2S)-5,5-bis(2-fluoroethyl)-2-propan-2-yloxane is CC(C)[C@@H]1CCC(CCF)(CCF)CO1.
What is the InChIKey of (2S)-5,5-bis(2-fluoroethyl)-2-propan-2-yloxane?
The InChIKey is GPCGIMTVXSDYIF-NSHDSACASA-N. The full InChI is InChI=1S/C12H22F2O/c1-10(2)11-3-4-12(5-7-13,6-8-14)9-15-11/h10-11H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-5,5-bis(2-fluoroethyl)-2-propan-2-yloxane?
(2S)-5,5-bis(2-fluoroethyl)-2-propan-2-yloxane has a molecular weight of 220.30 g/mol, XLogP of 3.53, 5 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-propan-2-yloxane is sourced from PubChem (CID 155281714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).