(4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine

C9H16FNO — CID 59075842

IUPAC(4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine
SMILESC/C(F)=C/[C@H]1COC(C)(C)N1C
InChIInChI=1S/C9H16FNO/c1-7(10)5-8-6-12-9(2,3)11(8)4/h5,8H,6H2,1-4H3/b7-5-/t8-/m0/s1
InChIKeyONQKBBHNSOKQEV-TVSKSKRASA-N
MW173.23 g/mol
LogP1.93
Rot. Bonds1

About (4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine

(4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine (PubChem CID 59075842) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine
PubChem CID59075842
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine
SMILESC/C(F)=C/[C@H]1COC(C)(C)N1C
InChIInChI=1S/C9H16FNO/c1-7(10)5-8-6-12-9(2,3)11(8)4/h5,8H,6H2,1-4H3/b7-5-/t8-/m0/s1
InChIKeyONQKBBHNSOKQEV-TVSKSKRASA-N
XLogP1.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine?
The IUPAC name of (4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine (CID 59075842) is (4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine.
What is the SMILES notation for (4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine?
The canonical SMILES for (4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine is C/C(F)=C/[C@H]1COC(C)(C)N1C.
What is the InChIKey of (4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine?
The InChIKey is ONQKBBHNSOKQEV-TVSKSKRASA-N. The full InChI is InChI=1S/C9H16FNO/c1-7(10)5-8-6-12-9(2,3)11(8)4/h5,8H,6H2,1-4H3/b7-5-/t8-/m0/s1.
What are the key properties of (4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine?
(4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine has a molecular weight of 173.23 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 59075842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).