(4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine

C11H20FNO — CID 91011999

IUPAC(4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine
SMILESCC(F)=CCC[C@H]1COC(C)(C)N1C
InChIInChI=1S/C11H20FNO/c1-9(12)6-5-7-10-8-14-11(2,3)13(10)4/h6,10H,5,7-8H2,1-4H3/t10-/m0/s1
InChIKeyUMUQLHMHFCWNHK-JTQLQIEISA-N
MW201.28 g/mol
LogP2.71
Rot. Bonds3

About (4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine

(4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine (PubChem CID 91011999) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine
PubChem CID91011999
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine
SMILESCC(F)=CCC[C@H]1COC(C)(C)N1C
InChIInChI=1S/C11H20FNO/c1-9(12)6-5-7-10-8-14-11(2,3)13(10)4/h6,10H,5,7-8H2,1-4H3/t10-/m0/s1
InChIKeyUMUQLHMHFCWNHK-JTQLQIEISA-N
XLogP2.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine?
The IUPAC name of (4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine (CID 91011999) is (4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine.
What is the SMILES notation for (4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine?
The canonical SMILES for (4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine is CC(F)=CCC[C@H]1COC(C)(C)N1C.
What is the InChIKey of (4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine?
The InChIKey is UMUQLHMHFCWNHK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20FNO/c1-9(12)6-5-7-10-8-14-11(2,3)13(10)4/h6,10H,5,7-8H2,1-4H3/t10-/m0/s1.
What are the key properties of (4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine?
(4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine has a molecular weight of 201.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluoropent-3-enyl)-2,2,3-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 91011999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).