(3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one

C4H4F3NO2 — CID 12986313

IUPAC(3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one
SMILESO=C1N[C@H](C(F)(F)F)[C@@H]1O
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)2-1(9)3(10)8-2/h1-2,9H,(H,8,10)/t1-,2-/m0/s1
InChIKeyKILABZQAJCINSN-LWMBPPNESA-N
MW155.07 g/mol
LogP-0.59
Rot. Bonds

About (3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one

(3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one (PubChem CID 12986313) has the molecular formula C4H4F3NO2 and a molecular weight of 155.07 g/mol. Its IUPAC name is (3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one
PubChem CID12986313
Molecular FormulaC4H4F3NO2
Molecular Weight155.07 g/mol
Exact Mass155.02
IUPAC Name(3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one
SMILESO=C1N[C@H](C(F)(F)F)[C@@H]1O
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)2-1(9)3(10)8-2/h1-2,9H,(H,8,10)/t1-,2-/m0/s1
InChIKeyKILABZQAJCINSN-LWMBPPNESA-N
XLogP-0.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one (CID 12986313) is (3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one is O=C1N[C@H](C(F)(F)F)[C@@H]1O.
What is the InChIKey of (3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one?
The InChIKey is KILABZQAJCINSN-LWMBPPNESA-N. The full InChI is InChI=1S/C4H4F3NO2/c5-4(6,7)2-1(9)3(10)8-2/h1-2,9H,(H,8,10)/t1-,2-/m0/s1.
What are the key properties of (3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one?
(3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one has a molecular weight of 155.07 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-hydroxy-4-(trifluoromethyl)azetidin-2-one is sourced from PubChem (CID 12986313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).