2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid

C11H19F3O2 — CID 79425699

IUPAC2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid
SMILESCCCCC(CC)(CCC(F)(F)F)C(=O)O
InChIInChI=1S/C11H19F3O2/c1-3-5-6-10(4-2,9(15)16)7-8-11(12,13)14/h3-8H2,1-2H3,(H,15,16)
InChIKeyFZZLXKBYHNXOBX-UHFFFAOYSA-N
MW240.26 g/mol
LogP4.00
Rot. Bonds7

About 2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid

2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid (PubChem CID 79425699) has the molecular formula C11H19F3O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid
PubChem CID79425699
Molecular FormulaC11H19F3O2
Molecular Weight240.26 g/mol
Exact Mass240.13
IUPAC Name2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid
SMILESCCCCC(CC)(CCC(F)(F)F)C(=O)O
InChIInChI=1S/C11H19F3O2/c1-3-5-6-10(4-2,9(15)16)7-8-11(12,13)14/h3-8H2,1-2H3,(H,15,16)
InChIKeyFZZLXKBYHNXOBX-UHFFFAOYSA-N
XLogP4.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-diethylhexanoic acid;indigane
CID 175172164
2-butyl-2-ethylnonanoic acid
CID 57042574
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694
2,2-diethylhexanoic acid;nickel
CID 174321081
CID 87969329
CID 87969329
CID 89130473
CID 89130473
2-butyl-2-ethyl-5-methylhexanoic acid
CID 63402909
2,2-diethyltridecanoic acid
CID 138578067
2,2-diethylnonadecanoic acid
CID 139750929
2-[[4-(2-carboxy-2-ethylhexyl)cyclohexyl]methyl]-2-ethylhexanoic acid
CID 70237933
2,2-dibutylbutanedioic acid
CID 22052925
2,2-dibutyloctanoic acid;neodymium
CID 174758367

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid?
The IUPAC name of 2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid (CID 79425699) is 2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid.
What is the SMILES notation for 2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid?
The canonical SMILES for 2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid is CCCCC(CC)(CCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid?
The InChIKey is FZZLXKBYHNXOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O2/c1-3-5-6-10(4-2,9(15)16)7-8-11(12,13)14/h3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid?
2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid has a molecular weight of 240.26 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3,3,3-trifluoropropyl)hexanoic acid is sourced from PubChem (CID 79425699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).