3-ethyl-2-fluoro-2,4-dimethylhexanoic acid

C10H19FO2 — CID 134225925

IUPAC3-ethyl-2-fluoro-2,4-dimethylhexanoic acid
SMILESCCC(C)C(CC)C(C)(F)C(=O)O
InChIInChI=1S/C10H19FO2/c1-5-7(3)8(6-2)10(4,11)9(12)13/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKeyGNIQFGJEWLNREJ-UHFFFAOYSA-N
MW190.26 g/mol
LogP2.87
Rot. Bonds5

About 3-ethyl-2-fluoro-2,4-dimethylhexanoic acid

3-ethyl-2-fluoro-2,4-dimethylhexanoic acid (PubChem CID 134225925) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is 3-ethyl-2-fluoro-2,4-dimethylhexanoic acid.

Molecular Properties

Compound Name3-ethyl-2-fluoro-2,4-dimethylhexanoic acid
PubChem CID134225925
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name3-ethyl-2-fluoro-2,4-dimethylhexanoic acid
SMILESCCC(C)C(CC)C(C)(F)C(=O)O
InChIInChI=1S/C10H19FO2/c1-5-7(3)8(6-2)10(4,11)9(12)13/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKeyGNIQFGJEWLNREJ-UHFFFAOYSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-hydroxy-2,2,4-trimethylhexanoic acid
CID 62397285
3-methyl-2-(trifluoromethyl)pentanoic acid
CID 23571813
2,3,3-trifluoro-2-methylpropanoic acid
CID 20511543
(5S)-5-tert-butyl-2,2,6-trimethyloctan-3-one
CID 159081424
2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 113251121
2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid
CID 79303592
3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid
CID 79304533
(2S,4S)-2,4-bis[(2S)-butan-2-yl]pentanedioic acid
CID 15070778
3-ethyl-2,2-difluoropentanoic acid
CID 53443922
2-(2,3-dimethylpentanoylamino)-2-methylpropanoic acid
CID 120515956
1,1,1-trifluoro-4,5-dimethylheptan-3-one
CID 123736414
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-fluoro-2,4-dimethylhexanoic acid?
The IUPAC name of 3-ethyl-2-fluoro-2,4-dimethylhexanoic acid (CID 134225925) is 3-ethyl-2-fluoro-2,4-dimethylhexanoic acid.
What is the SMILES notation for 3-ethyl-2-fluoro-2,4-dimethylhexanoic acid?
The canonical SMILES for 3-ethyl-2-fluoro-2,4-dimethylhexanoic acid is CCC(C)C(CC)C(C)(F)C(=O)O.
What is the InChIKey of 3-ethyl-2-fluoro-2,4-dimethylhexanoic acid?
The InChIKey is GNIQFGJEWLNREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2/c1-5-7(3)8(6-2)10(4,11)9(12)13/h7-8H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 3-ethyl-2-fluoro-2,4-dimethylhexanoic acid?
3-ethyl-2-fluoro-2,4-dimethylhexanoic acid has a molecular weight of 190.26 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-fluoro-2,4-dimethylhexanoic acid is sourced from PubChem (CID 134225925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).