3,3-difluoro-2-methylpropan-1-ol

C4H8F2O — CID 78061721

IUPAC3,3-difluoro-2-methylpropan-1-ol
SMILESCC(CO)C(F)F
InChIInChI=1S/C4H8F2O/c1-3(2-7)4(5)6/h3-4,7H,2H2,1H3
InChIKeyLVDIZMUAQNVFOZ-UHFFFAOYSA-N
MW110.10 g/mol
LogP0.88
Rot. Bonds2

About 3,3-difluoro-2-methylpropan-1-ol

3,3-difluoro-2-methylpropan-1-ol (PubChem CID 78061721) has the molecular formula C4H8F2O and a molecular weight of 110.10 g/mol. Its IUPAC name is 3,3-difluoro-2-methylpropan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-2-methylpropan-1-ol
PubChem CID78061721
Molecular FormulaC4H8F2O
Molecular Weight110.10 g/mol
Exact Mass110.05
IUPAC Name3,3-difluoro-2-methylpropan-1-ol
SMILESCC(CO)C(F)F
InChIInChI=1S/C4H8F2O/c1-3(2-7)4(5)6/h3-4,7H,2H2,1H3
InChIKeyLVDIZMUAQNVFOZ-UHFFFAOYSA-N
XLogP0.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.10
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methylpropan-1-ol?
The IUPAC name of 3,3-difluoro-2-methylpropan-1-ol (CID 78061721) is 3,3-difluoro-2-methylpropan-1-ol.
What is the SMILES notation for 3,3-difluoro-2-methylpropan-1-ol?
The canonical SMILES for 3,3-difluoro-2-methylpropan-1-ol is CC(CO)C(F)F.
What is the InChIKey of 3,3-difluoro-2-methylpropan-1-ol?
The InChIKey is LVDIZMUAQNVFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2O/c1-3(2-7)4(5)6/h3-4,7H,2H2,1H3.
What are the key properties of 3,3-difluoro-2-methylpropan-1-ol?
3,3-difluoro-2-methylpropan-1-ol has a molecular weight of 110.10 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methylpropan-1-ol is sourced from PubChem (CID 78061721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).