(3R,4R)-4-[(2R)-but-3-en-2-yl]-3-(1-fluoroethyl)azetidin-2-one

C9H14FNO — CID 131176437

IUPAC(3R,4R)-4-[(2R)-but-3-en-2-yl]-3-(1-fluoroethyl)azetidin-2-one
SMILESC=C[C@@H](C)[C@H]1NC(=O)[C@@H]1C(C)F
InChIInChI=1S/C9H14FNO/c1-4-5(2)8-7(6(3)10)9(12)11-8/h4-8H,1H2,2-3H3,(H,11,12)/t5-,6?,7-,8-/m1/s1
InChIKeyNQYCOXYTSGXJGR-NIVRMLGLSA-N
MW171.21 g/mol
LogP1.28
Rot. Bonds3

About (3R,4R)-4-[(2R)-but-3-en-2-yl]-3-(1-fluoroethyl)azetidin-2-one

(3R,4R)-4-[(2R)-but-3-en-2-yl]-3-(1-fluoroethyl)azetidin-2-one (PubChem CID 131176437) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is (3R,4R)-4-[(2R)-but-3-en-2-yl]-3-(1-fluoroethyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-[(2R)-but-3-en-2-yl]-3-(1-fluoroethyl)azetidin-2-one
PubChem CID131176437
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name(3R,4R)-4-[(2R)-but-3-en-2-yl]-3-(1-fluoroethyl)azetidin-2-one
SMILESC=C[C@@H](C)[C@H]1NC(=O)[C@@H]1C(C)F
InChIInChI=1S/C9H14FNO/c1-4-5(2)8-7(6(3)10)9(12)11-8/h4-8H,1H2,2-3H3,(H,11,12)/t5-,6?,7-,8-/m1/s1
InChIKeyNQYCOXYTSGXJGR-NIVRMLGLSA-N
XLogP1.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(2R)-but-3-en-2-yl]-3-(1-fluoroethyl)azetidin-2-one?
The IUPAC name of (3R,4R)-4-[(2R)-but-3-en-2-yl]-3-(1-fluoroethyl)azetidin-2-one (CID 131176437) is (3R,4R)-4-[(2R)-but-3-en-2-yl]-3-(1-fluoroethyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-4-[(2R)-but-3-en-2-yl]-3-(1-fluoroethyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-4-[(2R)-but-3-en-2-yl]-3-(1-fluoroethyl)azetidin-2-one is C=C[C@@H](C)[C@H]1NC(=O)[C@@H]1C(C)F.
What is the InChIKey of (3R,4R)-4-[(2R)-but-3-en-2-yl]-3-(1-fluoroethyl)azetidin-2-one?
The InChIKey is NQYCOXYTSGXJGR-NIVRMLGLSA-N. The full InChI is InChI=1S/C9H14FNO/c1-4-5(2)8-7(6(3)10)9(12)11-8/h4-8H,1H2,2-3H3,(H,11,12)/t5-,6?,7-,8-/m1/s1.
What are the key properties of (3R,4R)-4-[(2R)-but-3-en-2-yl]-3-(1-fluoroethyl)azetidin-2-one?
(3R,4R)-4-[(2R)-but-3-en-2-yl]-3-(1-fluoroethyl)azetidin-2-one has a molecular weight of 171.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(2R)-but-3-en-2-yl]-3-(1-fluoroethyl)azetidin-2-one is sourced from PubChem (CID 131176437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).