1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane

C9H16F2O2 — CID 144773592

IUPAC1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane
SMILESCC.CC(=O)[C@]1(C)CC(F)(F)CO1
InChIInChI=1S/C7H10F2O2.C2H6/c1-5(10)6(2)3-7(8,9)4-11-6;1-2/h3-4H2,1-2H3;1-2H3/t6-;/m0./s1
InChIKeyMWDNKJCHZUOXLM-RGMNGODLSA-N
MW194.22 g/mol
LogP2.42
Rot. Bonds1

About 1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane

1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane (PubChem CID 144773592) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane
PubChem CID144773592
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane
SMILESCC.CC(=O)[C@]1(C)CC(F)(F)CO1
InChIInChI=1S/C7H10F2O2.C2H6/c1-5(10)6(2)3-7(8,9)4-11-6;1-2/h3-4H2,1-2H3;1-2H3/t6-;/m0./s1
InChIKeyMWDNKJCHZUOXLM-RGMNGODLSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane?
The IUPAC name of 1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane (CID 144773592) is 1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane.
What is the SMILES notation for 1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane?
The canonical SMILES for 1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane is CC.CC(=O)[C@]1(C)CC(F)(F)CO1.
What is the InChIKey of 1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane?
The InChIKey is MWDNKJCHZUOXLM-RGMNGODLSA-N. The full InChI is InChI=1S/C7H10F2O2.C2H6/c1-5(10)6(2)3-7(8,9)4-11-6;1-2/h3-4H2,1-2H3;1-2H3/t6-;/m0./s1.
What are the key properties of 1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane?
1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane has a molecular weight of 194.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]ethanone;ethane is sourced from PubChem (CID 144773592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).