(5S)-4-ethyl-5-fluoro-2,2-dimethyloxane

C9H17FO — CID 178006268

IUPAC(5S)-4-ethyl-5-fluoro-2,2-dimethyloxane
SMILESCCC1CC(C)(C)OC[C@H]1F
InChIInChI=1S/C9H17FO/c1-4-7-5-9(2,3)11-6-8(7)10/h7-8H,4-6H2,1-3H3/t7?,8-/m1/s1
InChIKeyZAZSWAFVWFQMBO-BRFYHDHCSA-N
MW160.23 g/mol
LogP2.55
Rot. Bonds1

About (5S)-4-ethyl-5-fluoro-2,2-dimethyloxane

(5S)-4-ethyl-5-fluoro-2,2-dimethyloxane (PubChem CID 178006268) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is (5S)-4-ethyl-5-fluoro-2,2-dimethyloxane.

Molecular Properties

Compound Name(5S)-4-ethyl-5-fluoro-2,2-dimethyloxane
PubChem CID178006268
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name(5S)-4-ethyl-5-fluoro-2,2-dimethyloxane
SMILESCCC1CC(C)(C)OC[C@H]1F
InChIInChI=1S/C9H17FO/c1-4-7-5-9(2,3)11-6-8(7)10/h7-8H,4-6H2,1-3H3/t7?,8-/m1/s1
InChIKeyZAZSWAFVWFQMBO-BRFYHDHCSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Trimethyl oxane
CID 67859835
3-(1-Fluoroethyl)oxane
CID 21136565
(4S)-2,4-dimethyl-2-(trifluoromethyl)oxane
CID 57682168
(4S)-3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxane
CID 57682176
(4S,5R)-2-fluoro-6-(fluoromethyl)-3,4,5-trimethyloxane
CID 58241357
(4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane
CID 58241360
(4S,5R)-2-fluoro-3,4,5,6-tetramethyloxane
CID 58241366
(3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane
CID 58241375
(4S,5R)-2-fluoro-3,4,5-trimethyl-6-(propoxymethyl)oxane
CID 58241383
2-Ethyl-2-fluoro-3-methyloxane
CID 58545281
3-Ethyl-2-fluorooxane
CID 58813258
(5S)-2-fluoro-3,4,5,6-tetramethyloxane
CID 59872148

Frequently Asked Questions

What is the IUPAC name of (5S)-4-ethyl-5-fluoro-2,2-dimethyloxane?
The IUPAC name of (5S)-4-ethyl-5-fluoro-2,2-dimethyloxane (CID 178006268) is (5S)-4-ethyl-5-fluoro-2,2-dimethyloxane.
What is the SMILES notation for (5S)-4-ethyl-5-fluoro-2,2-dimethyloxane?
The canonical SMILES for (5S)-4-ethyl-5-fluoro-2,2-dimethyloxane is CCC1CC(C)(C)OC[C@H]1F.
What is the InChIKey of (5S)-4-ethyl-5-fluoro-2,2-dimethyloxane?
The InChIKey is ZAZSWAFVWFQMBO-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H17FO/c1-4-7-5-9(2,3)11-6-8(7)10/h7-8H,4-6H2,1-3H3/t7?,8-/m1/s1.
What are the key properties of (5S)-4-ethyl-5-fluoro-2,2-dimethyloxane?
(5S)-4-ethyl-5-fluoro-2,2-dimethyloxane has a molecular weight of 160.23 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-ethyl-5-fluoro-2,2-dimethyloxane is sourced from PubChem (CID 178006268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).