1,1-difluoro-3-methylbutan-2-ol

C5H10F2O — CID 80611065

IUPAC1,1-difluoro-3-methylbutan-2-ol
SMILESCC(C)C(O)C(F)F
InChIInChI=1S/C5H10F2O/c1-3(2)4(8)5(6)7/h3-5,8H,1-2H3
InChIKeyLLRQYQBSCRTYGR-UHFFFAOYSA-N
MW124.13 g/mol
LogP1.27
Rot. Bonds2

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

1,1-difluoro-3-methylbutan-2-ol (PubChem CID 80611065) has the molecular formula C5H10F2O and a molecular weight of 124.13 g/mol. Its IUPAC name is 1,1-difluoro-3-methylbutan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-methylbutan-2-ol
PubChem CID80611065
Molecular FormulaC5H10F2O
Molecular Weight124.13 g/mol
Exact Mass124.07
IUPAC Name1,1-difluoro-3-methylbutan-2-ol
SMILESCC(C)C(O)C(F)F
InChIInChI=1S/C5H10F2O/c1-3(2)4(8)5(6)7/h3-5,8H,1-2H3
InChIKeyLLRQYQBSCRTYGR-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 1,1-difluoro-3-methylbutan-2-ol?
The IUPAC name of 1,1-difluoro-3-methylbutan-2-ol (CID 80611065) is 1,1-difluoro-3-methylbutan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-methylbutan-2-ol?
The canonical SMILES for 1,1-difluoro-3-methylbutan-2-ol is CC(C)C(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-methylbutan-2-ol?
The InChIKey is LLRQYQBSCRTYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O/c1-3(2)4(8)5(6)7/h3-5,8H,1-2H3.
What are the key properties of 1,1-difluoro-3-methylbutan-2-ol?
1,1-difluoro-3-methylbutan-2-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 1,1-difluoro-3-methylbutan-2-ol is sourced from PubChem (CID 80611065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).