3,3-difluoro-2,2-dimethylpropan-1-ol

C5H10F2O — CID 121206990

IUPAC3,3-difluoro-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)C(F)F
InChIInChI=1S/C5H10F2O/c1-5(2,3-8)4(6)7/h4,8H,3H2,1-2H3
InChIKeyXZAFPDPMGJXCKK-UHFFFAOYSA-N
MW124.13 g/mol
LogP1.27
Rot. Bonds2

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

3,3-difluoro-2,2-dimethylpropan-1-ol (PubChem CID 121206990) has the molecular formula C5H10F2O and a molecular weight of 124.13 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethylpropan-1-ol
PubChem CID121206990
Molecular FormulaC5H10F2O
Molecular Weight124.13 g/mol
Exact Mass124.07
IUPAC Name3,3-difluoro-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)C(F)F
InChIInChI=1S/C5H10F2O/c1-5(2,3-8)4(6)7/h4,8H,3H2,1-2H3
InChIKeyXZAFPDPMGJXCKK-UHFFFAOYSA-N
XLogP1.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.13
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethylpropan-1-ol?
The IUPAC name of 3,3-difluoro-2,2-dimethylpropan-1-ol (CID 121206990) is 3,3-difluoro-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3,3-difluoro-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3,3-difluoro-2,2-dimethylpropan-1-ol is CC(C)(CO)C(F)F.
What is the InChIKey of 3,3-difluoro-2,2-dimethylpropan-1-ol?
The InChIKey is XZAFPDPMGJXCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O/c1-5(2,3-8)4(6)7/h4,8H,3H2,1-2H3.
What are the key properties of 3,3-difluoro-2,2-dimethylpropan-1-ol?
3,3-difluoro-2,2-dimethylpropan-1-ol has a molecular weight of 124.13 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 121206990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).