3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane

C10H19FO — CID 171753227

IUPAC3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane
SMILESCC(C)[C@H](F)C1(C(C)C)COC1
InChIInChI=1S/C10H19FO/c1-7(2)9(11)10(8(3)4)5-12-6-10/h7-9H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyVLYOAFYPWLCFOR-VIFPVBQESA-N
MW174.26 g/mol
LogP2.65
Rot. Bonds3

About 3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane

3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane (PubChem CID 171753227) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane.

Molecular Properties

Compound Name3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane
PubChem CID171753227
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane
SMILESCC(C)[C@H](F)C1(C(C)C)COC1
InChIInChI=1S/C10H19FO/c1-7(2)9(11)10(8(3)4)5-12-6-10/h7-9H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyVLYOAFYPWLCFOR-VIFPVBQESA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane?
The IUPAC name of 3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane (CID 171753227) is 3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane.
What is the SMILES notation for 3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane?
The canonical SMILES for 3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane is CC(C)[C@H](F)C1(C(C)C)COC1.
What is the InChIKey of 3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane?
The InChIKey is VLYOAFYPWLCFOR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19FO/c1-7(2)9(11)10(8(3)4)5-12-6-10/h7-9H,5-6H2,1-4H3/t9-/m0/s1.
What are the key properties of 3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane?
3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane has a molecular weight of 174.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-fluoro-2-methylpropyl]-3-propan-2-yloxetane is sourced from PubChem (CID 171753227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).