5-(dimethylamino)-1,1-difluoro-3-methylpentan-2-ol

C8H17F2NO — CID 143016235

IUPAC5-(dimethylamino)-1,1-difluoro-3-methylpentan-2-ol
SMILESCC(CCN(C)C)C(O)C(F)F
InChIInChI=1S/C8H17F2NO/c1-6(4-5-11(2)3)7(12)8(9)10/h6-8,12H,4-5H2,1-3H3
InChIKeyXKTQOJXSQSDPMY-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.20
Rot. Bonds5

About 5-(dimethylamino)-1,1-difluoro-3-methylpentan-2-ol

5-(dimethylamino)-1,1-difluoro-3-methylpentan-2-ol (PubChem CID 143016235) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-(dimethylamino)-1,1-difluoro-3-methylpentan-2-ol.

Molecular Properties

Compound Name5-(dimethylamino)-1,1-difluoro-3-methylpentan-2-ol
PubChem CID143016235
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name5-(dimethylamino)-1,1-difluoro-3-methylpentan-2-ol
SMILESCC(CCN(C)C)C(O)C(F)F
InChIInChI=1S/C8H17F2NO/c1-6(4-5-11(2)3)7(12)8(9)10/h6-8,12H,4-5H2,1-3H3
InChIKeyXKTQOJXSQSDPMY-UHFFFAOYSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1,1-difluoro-3-methylpentan-2-ol?
The IUPAC name of 5-(dimethylamino)-1,1-difluoro-3-methylpentan-2-ol (CID 143016235) is 5-(dimethylamino)-1,1-difluoro-3-methylpentan-2-ol.
What is the SMILES notation for 5-(dimethylamino)-1,1-difluoro-3-methylpentan-2-ol?
The canonical SMILES for 5-(dimethylamino)-1,1-difluoro-3-methylpentan-2-ol is CC(CCN(C)C)C(O)C(F)F.
What is the InChIKey of 5-(dimethylamino)-1,1-difluoro-3-methylpentan-2-ol?
The InChIKey is XKTQOJXSQSDPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-6(4-5-11(2)3)7(12)8(9)10/h6-8,12H,4-5H2,1-3H3.
What are the key properties of 5-(dimethylamino)-1,1-difluoro-3-methylpentan-2-ol?
5-(dimethylamino)-1,1-difluoro-3-methylpentan-2-ol has a molecular weight of 181.23 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1,1-difluoro-3-methylpentan-2-ol is sourced from PubChem (CID 143016235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).