3,3-difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol

C9H19F2NO — CID 166478752

IUPAC3,3-difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol
SMILESCC(C)N(C)CC(CO)C(C)(F)F
InChIInChI=1S/C9H19F2NO/c1-7(2)12(4)5-8(6-13)9(3,10)11/h7-8,13H,5-6H2,1-4H3
InChIKeyCYQZZWHLWBELMQ-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.59
Rot. Bonds5

About 3,3-difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol

3,3-difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol (PubChem CID 166478752) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 3,3-difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol
PubChem CID166478752
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name3,3-difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol
SMILESCC(C)N(C)CC(CO)C(C)(F)F
InChIInChI=1S/C9H19F2NO/c1-7(2)12(4)5-8(6-13)9(3,10)11/h7-8,13H,5-6H2,1-4H3
InChIKeyCYQZZWHLWBELMQ-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol?
The IUPAC name of 3,3-difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol (CID 166478752) is 3,3-difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 3,3-difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 3,3-difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol is CC(C)N(C)CC(CO)C(C)(F)F.
What is the InChIKey of 3,3-difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol?
The InChIKey is CYQZZWHLWBELMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-7(2)12(4)5-8(6-13)9(3,10)11/h7-8,13H,5-6H2,1-4H3.
What are the key properties of 3,3-difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol?
3,3-difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol has a molecular weight of 195.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 166478752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).