(2S)-2-(3,3,3-trifluoropropoxy)propanoic acid

C6H9F3O3 — CID 104876409

IUPAC(2S)-2-(3,3,3-trifluoropropoxy)propanoic acid
SMILESC[C@H](OCCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H9F3O3/c1-4(5(10)11)12-3-2-6(7,8)9/h4H,2-3H2,1H3,(H,10,11)/t4-/m0/s1
InChIKeyPRJZXRPEMNVTDM-BYPYZUCNSA-N
MW186.13 g/mol
LogP1.43
Rot. Bonds4

About (2S)-2-(3,3,3-trifluoropropoxy)propanoic acid

(2S)-2-(3,3,3-trifluoropropoxy)propanoic acid (PubChem CID 104876409) has the molecular formula C6H9F3O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is (2S)-2-(3,3,3-trifluoropropoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3,3,3-trifluoropropoxy)propanoic acid
PubChem CID104876409
Molecular FormulaC6H9F3O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Name(2S)-2-(3,3,3-trifluoropropoxy)propanoic acid
SMILESC[C@H](OCCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H9F3O3/c1-4(5(10)11)12-3-2-6(7,8)9/h4H,2-3H2,1H3,(H,10,11)/t4-/m0/s1
InChIKeyPRJZXRPEMNVTDM-BYPYZUCNSA-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

2-(3,3-difluorobutoxy)propanoic acid
CID 84658279
2-(2-fluoroethoxy)propanoic acid
CID 84648269
(2S)-2-(3-cyano-3-methylbutoxy)propanoic acid
CID 104876020
1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one
CID 82954338
(3S,5S)-3-(aminomethyl)-5-(3,3,3-trifluoropropoxy)hexanoic acid
CID 53240592
2-(2-aminooxyethoxy)propanoic acid
CID 175557781
2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid
CID 82953620
1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one
CID 82955506
(2S)-2-(2-methylsulfanylethoxy)propanoic acid
CID 104875904
2-but-3-enoxypropanoic acid
CID 43128770
2-(2-tert-butylsulfonylethoxy)propanoic acid
CID 106721813
(2S)-2-heptoxypropanoic acid
CID 22301798

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,3,3-trifluoropropoxy)propanoic acid?
The IUPAC name of (2S)-2-(3,3,3-trifluoropropoxy)propanoic acid (CID 104876409) is (2S)-2-(3,3,3-trifluoropropoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(3,3,3-trifluoropropoxy)propanoic acid?
The canonical SMILES for (2S)-2-(3,3,3-trifluoropropoxy)propanoic acid is C[C@H](OCCC(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-(3,3,3-trifluoropropoxy)propanoic acid?
The InChIKey is PRJZXRPEMNVTDM-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9F3O3/c1-4(5(10)11)12-3-2-6(7,8)9/h4H,2-3H2,1H3,(H,10,11)/t4-/m0/s1.
What are the key properties of (2S)-2-(3,3,3-trifluoropropoxy)propanoic acid?
(2S)-2-(3,3,3-trifluoropropoxy)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 (2S)-2-(3,3,3-trifluoropropoxy)propanoic acid is sourced from PubChem (CID 104876409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).