(2S)-1-(fluoromethoxy)-2-methylbutane

C6H13FO — CID 89017557

IUPAC(2S)-1-(fluoromethoxy)-2-methylbutane
SMILESCC[C@H](C)COCF
InChIInChI=1S/C6H13FO/c1-3-6(2)4-8-5-7/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyJTEBKEOFXDBNGE-LURJTMIESA-N
MW120.17 g/mol
LogP1.98
Rot. Bonds4

About (2S)-1-(fluoromethoxy)-2-methylbutane

(2S)-1-(fluoromethoxy)-2-methylbutane (PubChem CID 89017557) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is (2S)-1-(fluoromethoxy)-2-methylbutane.

Molecular Properties

Compound Name(2S)-1-(fluoromethoxy)-2-methylbutane
PubChem CID89017557
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name(2S)-1-(fluoromethoxy)-2-methylbutane
SMILESCC[C@H](C)COCF
InChIInChI=1S/C6H13FO/c1-3-6(2)4-8-5-7/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyJTEBKEOFXDBNGE-LURJTMIESA-N
XLogP1.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Butane, 1-methoxy-3-methyl-
CID 136445
1-Methoxy-2-methylbutane
CID 522007
Fluorobutyl methyl ether
CID 20582799
2-Fluoro-1-methoxybutane
CID 12700781
4-Ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
4-Butoxy-1-fluoro-2-methylbutane
CID 20651931
1-Ethoxy-1,1-difluoro-2-methylbutane
CID 20802235
1-Ethoxy-1-fluoro-2-(fluoromethyl)butane
CID 21357107
2-(Ethoxymethyl)-1,1,1-trifluorobutane
CID 22002892
1-Ethoxy-3-fluoro-2-methylpropane
CID 22002896
1-Fluoro-1-methoxybutane
CID 22326021
1,1,1-Trifluoro-4-methoxy-2-methylbutane
CID 54079436

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(fluoromethoxy)-2-methylbutane?
The IUPAC name of (2S)-1-(fluoromethoxy)-2-methylbutane (CID 89017557) is (2S)-1-(fluoromethoxy)-2-methylbutane.
What is the SMILES notation for (2S)-1-(fluoromethoxy)-2-methylbutane?
The canonical SMILES for (2S)-1-(fluoromethoxy)-2-methylbutane is CC[C@H](C)COCF.
What is the InChIKey of (2S)-1-(fluoromethoxy)-2-methylbutane?
The InChIKey is JTEBKEOFXDBNGE-LURJTMIESA-N. The full InChI is InChI=1S/C6H13FO/c1-3-6(2)4-8-5-7/h6H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-1-(fluoromethoxy)-2-methylbutane?
(2S)-1-(fluoromethoxy)-2-methylbutane has a molecular weight of 120.17 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(fluoromethoxy)-2-methylbutane is sourced from PubChem (CID 89017557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).