2-fluoro-3-methyl-1-propan-2-yloxybutane

C8H17FO — CID 58192516

IUPAC2-fluoro-3-methyl-1-propan-2-yloxybutane
SMILESCC(C)OCC(F)C(C)C
InChIInChI=1S/C8H17FO/c1-6(2)8(9)5-10-7(3)4/h6-8H,5H2,1-4H3
InChIKeyKXUDJJJDAQQXPV-UHFFFAOYSA-N
MW148.22 g/mol
LogP2.41
Rot. Bonds4

About 2-fluoro-3-methyl-1-propan-2-yloxybutane

2-fluoro-3-methyl-1-propan-2-yloxybutane (PubChem CID 58192516) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is 2-fluoro-3-methyl-1-propan-2-yloxybutane.

Molecular Properties

Compound Name2-fluoro-3-methyl-1-propan-2-yloxybutane
PubChem CID58192516
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name2-fluoro-3-methyl-1-propan-2-yloxybutane
SMILESCC(C)OCC(F)C(C)C
InChIInChI=1S/C8H17FO/c1-6(2)8(9)5-10-7(3)4/h6-8H,5H2,1-4H3
InChIKeyKXUDJJJDAQQXPV-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-3-methyl-1-propan-2-yloxybutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-1-propan-2-yloxybutane?
The IUPAC name of 2-fluoro-3-methyl-1-propan-2-yloxybutane (CID 58192516) is 2-fluoro-3-methyl-1-propan-2-yloxybutane.
What is the SMILES notation for 2-fluoro-3-methyl-1-propan-2-yloxybutane?
The canonical SMILES for 2-fluoro-3-methyl-1-propan-2-yloxybutane is CC(C)OCC(F)C(C)C.
What is the InChIKey of 2-fluoro-3-methyl-1-propan-2-yloxybutane?
The InChIKey is KXUDJJJDAQQXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO/c1-6(2)8(9)5-10-7(3)4/h6-8H,5H2,1-4H3.
What are the key properties of 2-fluoro-3-methyl-1-propan-2-yloxybutane?
2-fluoro-3-methyl-1-propan-2-yloxybutane has a molecular weight of 148.22 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-1-propan-2-yloxybutane is sourced from PubChem (CID 58192516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).