2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid

C8H11F3O2 — CID 83154949

IUPAC2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid
SMILESCC(CC(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C8H11F3O2/c1-7(6(12)13,5-2-3-5)4-8(9,10)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyXZWMKOJWTDDNHK-UHFFFAOYSA-N
MW196.17 g/mol
LogP2.44
Rot. Bonds3

About 2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid

2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid (PubChem CID 83154949) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid
PubChem CID83154949
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid
SMILESCC(CC(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C8H11F3O2/c1-7(6(12)13,5-2-3-5)4-8(9,10)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyXZWMKOJWTDDNHK-UHFFFAOYSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-3-hydroxy-2-methylpropanoic acid
CID 126974927
2-cyclopropyl-4-hydroxy-2-methylbutanoic acid
CID 83153767
2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 83154745
2-cyclopropyl-2-methyltetradecanoic acid
CID 83147793
2-cyclopropyl-7-hydroxy-2-methylheptanoic acid
CID 83148520
3-amino-2-cyclobutyl-2-methylpropanoic acid
CID 106487162
5-chloro-2-cyclopropyl-2,4-dimethylpent-4-enoic acid
CID 106439411
2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid
CID 84736757
3-aminooxy-2-cyclopentyl-2-methylpropanoic acid
CID 105442610
4-[2-(2-butoxyethoxy)ethoxy]-2-cyclopropyl-2-methylbutanoic acid
CID 104565072
2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 83153866
2-cyclopropyl-2,3,3-trimethylbutanoic acid
CID 90080319

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid?
The IUPAC name of 2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid (CID 83154949) is 2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid.
What is the SMILES notation for 2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid?
The canonical SMILES for 2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid is CC(CC(F)(F)F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid?
The InChIKey is XZWMKOJWTDDNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c1-7(6(12)13,5-2-3-5)4-8(9,10)11/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid?
2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid has a molecular weight of 196.17 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid is sourced from PubChem (CID 83154949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).