(2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane

C9H17FO — CID 167250613

IUPAC(2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane
SMILESCC[C@]1(C)OCCC(C)[C@@H]1F
InChIInChI=1S/C9H17FO/c1-4-9(3)8(10)7(2)5-6-11-9/h7-8H,4-6H2,1-3H3/t7?,8-,9-/m0/s1
InChIKeyRPNRTKYKSTWTPH-NPPUSCPJSA-N
MW160.23 g/mol
LogP2.55
Rot. Bonds1

About (2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane

(2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane (PubChem CID 167250613) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is (2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane.

Molecular Properties

Compound Name(2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane
PubChem CID167250613
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name(2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane
SMILESCC[C@]1(C)OCCC(C)[C@@H]1F
InChIInChI=1S/C9H17FO/c1-4-9(3)8(10)7(2)5-6-11-9/h7-8H,4-6H2,1-3H3/t7?,8-,9-/m0/s1
InChIKeyRPNRTKYKSTWTPH-NPPUSCPJSA-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

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CID 45274957
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(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
9-Fluoro-6-oxaspiro[4.5]decane
CID 25208211
4-Fluoro-1-oxaspiro[5.6]dodecane
CID 25208212
4-Fluoro-1-oxaspiro[5.5]undecane
CID 102032176
4-Fluoro-1-oxaspiro[5.11]heptadecane
CID 154713512
2-Methyl-3-propyltetrahydropyran
CID 57486098
Trimethyl oxane
CID 67859835
[Fluoro(propan-2-yloxy)methyl]cyclohexane
CID 19850336
2,2-Bis(4,4-difluorobutyl)oxane
CID 57090603
(4S)-2,4-dimethyl-2-(trifluoromethyl)oxane
CID 57682168

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane?
The IUPAC name of (2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane (CID 167250613) is (2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane.
What is the SMILES notation for (2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane?
The canonical SMILES for (2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane is CC[C@]1(C)OCCC(C)[C@@H]1F.
What is the InChIKey of (2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane?
The InChIKey is RPNRTKYKSTWTPH-NPPUSCPJSA-N. The full InChI is InChI=1S/C9H17FO/c1-4-9(3)8(10)7(2)5-6-11-9/h7-8H,4-6H2,1-3H3/t7?,8-,9-/m0/s1.
What are the key properties of (2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane?
(2S,3S)-2-ethyl-3-fluoro-2,4-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 (2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane is sourced from PubChem (CID 167250613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).