(3R)-3-(trifluoromethoxy)butanoic acid

C5H7F3O3 — CID 107876657

IUPAC(3R)-3-(trifluoromethoxy)butanoic acid
SMILESC[C@H](CC(=O)O)OC(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-3(2-4(9)10)11-5(6,7)8/h3H,2H2,1H3,(H,9,10)/t3-/m1/s1
InChIKeyMCDDWJDLWHXDCX-GSVOUGTGSA-N
MW172.10 g/mol
LogP1.39
Rot. Bonds3

About (3R)-3-(trifluoromethoxy)butanoic acid

(3R)-3-(trifluoromethoxy)butanoic acid (PubChem CID 107876657) has the molecular formula C5H7F3O3 and a molecular weight of 172.10 g/mol. Its IUPAC name is (3R)-3-(trifluoromethoxy)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(trifluoromethoxy)butanoic acid
PubChem CID107876657
Molecular FormulaC5H7F3O3
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Name(3R)-3-(trifluoromethoxy)butanoic acid
SMILESC[C@H](CC(=O)O)OC(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-3(2-4(9)10)11-5(6,7)8/h3H,2H2,1H3,(H,9,10)/t3-/m1/s1
InChIKeyMCDDWJDLWHXDCX-GSVOUGTGSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(trifluoromethoxy)butanoic acid
CID 87118364
(3S)-3-methoxybutanoic acid
CID 51374275
3-carbonofluoridoyloxybutanoic acid
CID 130374957
3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid
CID 139938687
3-[(E)-4-(1-carboxypropan-2-yloxy)-4-oxobut-2-enoyl]oxybutanoic acid
CID 175499750
3-ethoxybutanoic acid
CID 20508399
3-trimethylsilyloxybutanoic acid
CID 11008465
(3R)-4-methyl-3-(trifluoromethyl)pentanoic acid
CID 95022408
(3S)-3-[3,5-bis(trifluoromethyl)phenoxy]butanoic acid
CID 103548042
(3R)-3-(methoxymethoxy)butanoic acid
CID 10487007
(3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid
CID 103548238
3-methylbutanoic acid
CID 20849036

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(trifluoromethoxy)butanoic acid?
The IUPAC name of (3R)-3-(trifluoromethoxy)butanoic acid (CID 107876657) is (3R)-3-(trifluoromethoxy)butanoic acid.
What is the SMILES notation for (3R)-3-(trifluoromethoxy)butanoic acid?
The canonical SMILES for (3R)-3-(trifluoromethoxy)butanoic acid is C[C@H](CC(=O)O)OC(F)(F)F.
What is the InChIKey of (3R)-3-(trifluoromethoxy)butanoic acid?
The InChIKey is MCDDWJDLWHXDCX-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H7F3O3/c1-3(2-4(9)10)11-5(6,7)8/h3H,2H2,1H3,(H,9,10)/t3-/m1/s1.
What are the key properties of (3R)-3-(trifluoromethoxy)butanoic acid?
(3R)-3-(trifluoromethoxy)butanoic acid has a molecular weight of 172.10 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(trifluoromethoxy)butanoic acid is sourced from PubChem (CID 107876657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).