3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid

C6H9F3O3 — CID 65439316

IUPAC3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid
SMILESCC(OCCC(=O)O)C(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-4(6(7,8)9)12-3-2-5(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyVUFBZBXCDIPBNB-UHFFFAOYSA-N
MW186.13 g/mol
LogP1.43
Rot. Bonds4

About 3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid

3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid (PubChem CID 65439316) has the molecular formula C6H9F3O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is 3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid.

Molecular Properties

Compound Name3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid
PubChem CID65439316
Molecular FormulaC6H9F3O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Name3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid
SMILESCC(OCCC(=O)O)C(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-4(6(7,8)9)12-3-2-5(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyVUFBZBXCDIPBNB-UHFFFAOYSA-N
XLogP1.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(1,1,1-trifluoropropan-2-yloxy)propanoate
CID 66275187
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid
CID 102685236
3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
CID 87458033
3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propanoic acid
CID 87458955
4,4,4-trifluoro-3-(2-propan-2-yloxyethoxy)butanoic acid
CID 63073610
3-[1-(2-aminoethoxy)ethoxy]propanoic acid
CID 140704240
3-[(1R)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethoxy]propanoic acid
CID 97180363
2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide
CID 66274633
3-[1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-yloxy]propanoic acid
CID 87458831
N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66277586
3-(2-butan-2-yloxyethoxy)propanoic acid
CID 59266758
2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid
CID 66274629

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid?
The IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid (CID 65439316) is 3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid.
What is the SMILES notation for 3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid?
The canonical SMILES for 3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid is CC(OCCC(=O)O)C(F)(F)F.
What is the InChIKey of 3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid?
The InChIKey is VUFBZBXCDIPBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O3/c1-4(6(7,8)9)12-3-2-5(10)11/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid?
3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid has a molecular weight of 186.13 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid is sourced from PubChem (CID 65439316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).