2,2-difluoro-3-methyl-1-propan-2-yloxybutane

C8H16F2O — CID 58192496

IUPAC2,2-difluoro-3-methyl-1-propan-2-yloxybutane
SMILESCC(C)OCC(F)(F)C(C)C
InChIInChI=1S/C8H16F2O/c1-6(2)8(9,10)5-11-7(3)4/h6-7H,5H2,1-4H3
InChIKeyYGGOPWJAELVUKD-UHFFFAOYSA-N
MW166.21 g/mol
LogP2.70
Rot. Bonds4

About 2,2-difluoro-3-methyl-1-propan-2-yloxybutane

2,2-difluoro-3-methyl-1-propan-2-yloxybutane (PubChem CID 58192496) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 2,2-difluoro-3-methyl-1-propan-2-yloxybutane.

Molecular Properties

Compound Name2,2-difluoro-3-methyl-1-propan-2-yloxybutane
PubChem CID58192496
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name2,2-difluoro-3-methyl-1-propan-2-yloxybutane
SMILESCC(C)OCC(F)(F)C(C)C
InChIInChI=1S/C8H16F2O/c1-6(2)8(9,10)5-11-7(3)4/h6-7H,5H2,1-4H3
InChIKeyYGGOPWJAELVUKD-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methyl-1-propan-2-yloxybutane?
The IUPAC name of 2,2-difluoro-3-methyl-1-propan-2-yloxybutane (CID 58192496) is 2,2-difluoro-3-methyl-1-propan-2-yloxybutane.
What is the SMILES notation for 2,2-difluoro-3-methyl-1-propan-2-yloxybutane?
The canonical SMILES for 2,2-difluoro-3-methyl-1-propan-2-yloxybutane is CC(C)OCC(F)(F)C(C)C.
What is the InChIKey of 2,2-difluoro-3-methyl-1-propan-2-yloxybutane?
The InChIKey is YGGOPWJAELVUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O/c1-6(2)8(9,10)5-11-7(3)4/h6-7H,5H2,1-4H3.
What are the key properties of 2,2-difluoro-3-methyl-1-propan-2-yloxybutane?
2,2-difluoro-3-methyl-1-propan-2-yloxybutane has a molecular weight of 166.21 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methyl-1-propan-2-yloxybutane is sourced from PubChem (CID 58192496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).