(5S)-2-fluoro-3,4,5,6-tetramethyloxane

C9H17FO — CID 59872148

IUPAC(5S)-2-fluoro-3,4,5,6-tetramethyloxane
SMILESCC1C(F)OC(C)[C@@H](C)C1C
InChIInChI=1S/C9H17FO/c1-5-6(2)8(4)11-9(10)7(5)3/h5-9H,1-4H3/t5?,6-,7?,8?,9?/m0/s1
InChIKeyHBMVLTZWGQLDNN-KJYVVIDUSA-N
MW160.23 g/mol
LogP2.61
Rot. Bonds

About (5S)-2-fluoro-3,4,5,6-tetramethyloxane

(5S)-2-fluoro-3,4,5,6-tetramethyloxane (PubChem CID 59872148) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is (5S)-2-fluoro-3,4,5,6-tetramethyloxane.

Molecular Properties

Compound Name(5S)-2-fluoro-3,4,5,6-tetramethyloxane
PubChem CID59872148
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name(5S)-2-fluoro-3,4,5,6-tetramethyloxane
SMILESCC1C(F)OC(C)[C@@H](C)C1C
InChIInChI=1S/C9H17FO/c1-5-6(2)8(4)11-9(10)7(5)3/h5-9H,1-4H3/t5?,6-,7?,8?,9?/m0/s1
InChIKeyHBMVLTZWGQLDNN-KJYVVIDUSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Trifluoro-methyl-4-methyltetrahydropyran
CID 129270069
2,4,6-Trimethyltetrahydropyrane
CID 13776990
2,6-Dimethyl-4-ethyltetrahydropyrane
CID 22965776
2-Methyl-3-propyltetrahydropyran
CID 57486098
(3S,6S)-2,3,4,5,6-pentamethyloxane
CID 59823957
Trimethyl oxane
CID 67859835
[Fluoro(propan-2-yloxy)methyl]cyclohexane
CID 19850336
3-(1-Fluoroethyl)oxane
CID 21136565
(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

Frequently Asked Questions

What is the IUPAC name of (5S)-2-fluoro-3,4,5,6-tetramethyloxane?
The IUPAC name of (5S)-2-fluoro-3,4,5,6-tetramethyloxane (CID 59872148) is (5S)-2-fluoro-3,4,5,6-tetramethyloxane.
What is the SMILES notation for (5S)-2-fluoro-3,4,5,6-tetramethyloxane?
The canonical SMILES for (5S)-2-fluoro-3,4,5,6-tetramethyloxane is CC1C(F)OC(C)[C@@H](C)C1C.
What is the InChIKey of (5S)-2-fluoro-3,4,5,6-tetramethyloxane?
The InChIKey is HBMVLTZWGQLDNN-KJYVVIDUSA-N. The full InChI is InChI=1S/C9H17FO/c1-5-6(2)8(4)11-9(10)7(5)3/h5-9H,1-4H3/t5?,6-,7?,8?,9?/m0/s1.
What are the key properties of (5S)-2-fluoro-3,4,5,6-tetramethyloxane?
(5S)-2-fluoro-3,4,5,6-tetramethyloxane has a molecular weight of 160.23 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-fluoro-3,4,5,6-tetramethyloxane is sourced from PubChem (CID 59872148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).