4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid

C7H10F4O2 — CID 84776651

IUPAC4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid
SMILESCC(C)(F)C(CC(F)(F)F)C(=O)O
InChIInChI=1S/C7H10F4O2/c1-6(2,8)4(5(12)13)3-7(9,10)11/h4H,3H2,1-2H3,(H,12,13)
InChIKeyKGDUEGZWEVMUAK-UHFFFAOYSA-N
MW202.15 g/mol
LogP2.39
Rot. Bonds3

About 4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid

4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid (PubChem CID 84776651) has the molecular formula C7H10F4O2 and a molecular weight of 202.15 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid
PubChem CID84776651
Molecular FormulaC7H10F4O2
Molecular Weight202.15 g/mol
Exact Mass202.06
IUPAC Name4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid
SMILESCC(C)(F)C(CC(F)(F)F)C(=O)O
InChIInChI=1S/C7H10F4O2/c1-6(2,8)4(5(12)13)3-7(9,10)11/h4H,3H2,1-2H3,(H,12,13)
InChIKeyKGDUEGZWEVMUAK-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.15
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-4,4,4-trifluorobutanoic acid
CID 83136000
4,4-dimethyl-2-(trifluoromethyl)pentanoic acid
CID 58559804
2-(aminomethyl)-3,3-difluorobutanoic acid
CID 105429828
2,4,4,4-tetrafluorobutanoic acid
CID 24794893
2-tert-butyl-6,6,6-trifluorohexanoic acid
CID 83137658
4,4,4-trifluoro-2-iodobutanoic acid
CID 19436674
(2R)-4,4,4-trifluoro-2-sulfanylbutanoic acid
CID 11435220
(2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid
CID 129371887
methyl 4,4,4-trifluoro-2-(trifluoromethyl)butanoate
CID 23236316
2-(trifluoromethyl)butanoic acid;hydrochloride
CID 175076034
(2R)-4,4-difluoro-2-methylpentanoic acid
CID 156789470
4,4,4-trifluoro-2-(trifluoromethyl)butanoyl fluoride;hydrofluoride
CID 91399303

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid?
The IUPAC name of 4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid (CID 84776651) is 4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid?
The canonical SMILES for 4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid is CC(C)(F)C(CC(F)(F)F)C(=O)O.
What is the InChIKey of 4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid?
The InChIKey is KGDUEGZWEVMUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4O2/c1-6(2,8)4(5(12)13)3-7(9,10)11/h4H,3H2,1-2H3,(H,12,13).
What are the key properties of 4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid?
4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid has a molecular weight of 202.15 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid is sourced from PubChem (CID 84776651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).