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

C10H18FNO — CID 91048360

IUPAC(4S)-4-(2-fluorobut-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine
SMILESCCC(F)=C[C@H]1COC(C)(C)N1C
InChIInChI=1S/C10H18FNO/c1-5-8(11)6-9-7-13-10(2,3)12(9)4/h6,9H,5,7H2,1-4H3/t9-/m0/s1
InChIKeyKILUZMLQYFTNRU-VIFPVBQESA-N
MW187.26 g/mol
LogP2.32
Rot. Bonds2

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

(4S)-4-(2-fluorobut-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine (PubChem CID 91048360) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (4S)-4-(2-fluorobut-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-4-(2-fluorobut-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine
PubChem CID91048360
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(4S)-4-(2-fluorobut-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine
SMILESCCC(F)=C[C@H]1COC(C)(C)N1C
InChIInChI=1S/C10H18FNO/c1-5-8(11)6-9-7-13-10(2,3)12(9)4/h6,9H,5,7H2,1-4H3/t9-/m0/s1
InChIKeyKILUZMLQYFTNRU-VIFPVBQESA-N
XLogP2.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-fluorobut-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine?
The IUPAC name of (4S)-4-(2-fluorobut-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine (CID 91048360) is (4S)-4-(2-fluorobut-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine.
What is the SMILES notation for (4S)-4-(2-fluorobut-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine?
The canonical SMILES for (4S)-4-(2-fluorobut-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine is CCC(F)=C[C@H]1COC(C)(C)N1C.
What is the InChIKey of (4S)-4-(2-fluorobut-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine?
The InChIKey is KILUZMLQYFTNRU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18FNO/c1-5-8(11)6-9-7-13-10(2,3)12(9)4/h6,9H,5,7H2,1-4H3/t9-/m0/s1.
What are the key properties of (4S)-4-(2-fluorobut-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine?
(4S)-4-(2-fluorobut-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine has a molecular weight of 187.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-fluorobut-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 91048360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).