ethane;2-fluoro-2-methoxy-3-methylbutanoic acid

C10H23FO3 — CID 143459080

IUPACethane;2-fluoro-2-methoxy-3-methylbutanoic acid
SMILESCC.CC.COC(F)(C(=O)O)C(C)C
InChIInChI=1S/C6H11FO3.2C2H6/c1-4(2)6(7,10-3)5(8)9;2*1-2/h4H,1-3H3,(H,8,9);2*1-2H3
InChIKeyBCJLFGCIVRRJGN-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.09
Rot. Bonds3

About ethane;2-fluoro-2-methoxy-3-methylbutanoic acid

ethane;2-fluoro-2-methoxy-3-methylbutanoic acid (PubChem CID 143459080) has the molecular formula C10H23FO3 and a molecular weight of 210.29 g/mol. Its IUPAC name is ethane;2-fluoro-2-methoxy-3-methylbutanoic acid.

Molecular Properties

Compound Nameethane;2-fluoro-2-methoxy-3-methylbutanoic acid
PubChem CID143459080
Molecular FormulaC10H23FO3
Molecular Weight210.29 g/mol
Exact Mass210.16
IUPAC Nameethane;2-fluoro-2-methoxy-3-methylbutanoic acid
SMILESCC.CC.COC(F)(C(=O)O)C(C)C
InChIInChI=1S/C6H11FO3.2C2H6/c1-4(2)6(7,10-3)5(8)9;2*1-2/h4H,1-3H3,(H,8,9);2*1-2H3
InChIKeyBCJLFGCIVRRJGN-UHFFFAOYSA-N
XLogP3.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-2-methoxy-3-methylbutanoic acid
CID 89358566
carbamic acid;2,2-difluoro-3-methylbutane
CID 161455862
methyl 2-methylpropanoate;2,2,2-trifluoroacetic acid
CID 174483171
methyl hydrogen carbonate;2,2,2-trifluoroacetic acid
CID 158638631
1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid
CID 174560445
2,2,3-trimethoxybutanoic acid
CID 175415253
methoxymethanetricarboxylic acid
CID 18424768
4-methyl-2,2,3,3-tetrakis(trifluoromethyl)pentanoic acid
CID 129082136
N-methoxymethanamine;2,2,2-trifluoroacetic acid
CID 86135706
CID 22140680
CID 22140680
3,3-difluoro-4-methyl-2-oxopentanoic acid
CID 10261433
methyl carbonochloridate;bis(2,2,2-trifluoroacetic acid)
CID 172751542

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-2-methoxy-3-methylbutanoic acid?
The IUPAC name of ethane;2-fluoro-2-methoxy-3-methylbutanoic acid (CID 143459080) is ethane;2-fluoro-2-methoxy-3-methylbutanoic acid.
What is the SMILES notation for ethane;2-fluoro-2-methoxy-3-methylbutanoic acid?
The canonical SMILES for ethane;2-fluoro-2-methoxy-3-methylbutanoic acid is CC.CC.COC(F)(C(=O)O)C(C)C.
What is the InChIKey of ethane;2-fluoro-2-methoxy-3-methylbutanoic acid?
The InChIKey is BCJLFGCIVRRJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3.2C2H6/c1-4(2)6(7,10-3)5(8)9;2*1-2/h4H,1-3H3,(H,8,9);2*1-2H3.
What are the key properties of ethane;2-fluoro-2-methoxy-3-methylbutanoic acid?
ethane;2-fluoro-2-methoxy-3-methylbutanoic acid has a molecular weight of 210.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-2-methoxy-3-methylbutanoic acid is sourced from PubChem (CID 143459080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).