(3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane

C9H17FOS — CID 54472326

IUPAC(3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane
SMILESCSC1OC(C)[C@@H](C)C(C)C1F
InChIInChI=1S/C9H17FOS/c1-5-6(2)8(10)9(12-4)11-7(5)3/h5-9H,1-4H3/t5-,6?,7?,8?,9?/m0/s1
InChIKeyXJEXGHQBDTYBLX-OQOOARCMSA-N
MW192.30 g/mol
LogP2.70
Rot. Bonds1

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

(3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane (PubChem CID 54472326) has the molecular formula C9H17FOS and a molecular weight of 192.30 g/mol. Its IUPAC name is (3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane.

Molecular Properties

Compound Name(3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane
PubChem CID54472326
Molecular FormulaC9H17FOS
Molecular Weight192.30 g/mol
Exact Mass192.10
IUPAC Name(3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane
SMILESCSC1OC(C)[C@@H](C)C(C)C1F
InChIInChI=1S/C9H17FOS/c1-5-6(2)8(10)9(12-4)11-7(5)3/h5-9H,1-4H3/t5-,6?,7?,8?,9?/m0/s1
InChIKeyXJEXGHQBDTYBLX-OQOOARCMSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,6R)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane
CID 54472325
(2R,4R,5S)-2,3,4,5-tetramethyl-6-(trifluoromethylsulfanylmethyl)oxane
CID 71076117
(4R)-4-methyl-2-(2-methyl-1-methylsulfanylpropyl)oxane
CID 137537232
2,3,4,5-Tetramethyl-6-methylsulfanyloxane
CID 20660407
3,4,5-Trimethyl-2-methylsulfanyl-6-propan-2-yloxane
CID 20660408
3-Ethyl-4-ethylsulfanyloxane
CID 54391009
(3R,4S,6S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane
CID 60076983
(4S,5R)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane
CID 60077003
2-Ethyl-6-ethylsulfanyl-3,4,5-trimethyloxane
CID 89849636
(4S,5S)-2-ethyl-3,4,5-trimethyl-6-methylsulfanyloxane
CID 90707038
2-(2,3-Dimethylbutan-2-ylsulfanylmethyl)oxane
CID 90863701
(3S,5S)-2-ethyl-3,4,5-trimethyl-6-propan-2-ylsulfanyloxane
CID 122599323

Frequently Asked Questions

What is the IUPAC name of (3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane?
The IUPAC name of (3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane (CID 54472326) is (3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane.
What is the SMILES notation for (3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane?
The canonical SMILES for (3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane is CSC1OC(C)[C@@H](C)C(C)C1F.
What is the InChIKey of (3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane?
The InChIKey is XJEXGHQBDTYBLX-OQOOARCMSA-N. The full InChI is InChI=1S/C9H17FOS/c1-5-6(2)8(10)9(12-4)11-7(5)3/h5-9H,1-4H3/t5-,6?,7?,8?,9?/m0/s1.
What are the key properties of (3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane?
(3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane has a molecular weight of 192.30 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane is sourced from PubChem (CID 54472326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).