5-(tert-butylamino)-3,3-difluoropentan-1-ol

C9H19F2NO — CID 153299938

IUPAC5-(tert-butylamino)-3,3-difluoropentan-1-ol
SMILESCC(C)(C)NCCC(F)(F)CCO
InChIInChI=1S/C9H19F2NO/c1-8(2,3)12-6-4-9(10,11)5-7-13/h12-13H,4-7H2,1-3H3
InChIKeyHFASACIAIIJHSV-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.78
Rot. Bonds5

About 5-(tert-butylamino)-3,3-difluoropentan-1-ol

5-(tert-butylamino)-3,3-difluoropentan-1-ol (PubChem CID 153299938) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 5-(tert-butylamino)-3,3-difluoropentan-1-ol.

Molecular Properties

Compound Name5-(tert-butylamino)-3,3-difluoropentan-1-ol
PubChem CID153299938
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name5-(tert-butylamino)-3,3-difluoropentan-1-ol
SMILESCC(C)(C)NCCC(F)(F)CCO
InChIInChI=1S/C9H19F2NO/c1-8(2,3)12-6-4-9(10,11)5-7-13/h12-13H,4-7H2,1-3H3
InChIKeyHFASACIAIIJHSV-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(tert-butylamino)-3,3-difluoropentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-3,3-difluoropentan-1-ol?
The IUPAC name of 5-(tert-butylamino)-3,3-difluoropentan-1-ol (CID 153299938) is 5-(tert-butylamino)-3,3-difluoropentan-1-ol.
What is the SMILES notation for 5-(tert-butylamino)-3,3-difluoropentan-1-ol?
The canonical SMILES for 5-(tert-butylamino)-3,3-difluoropentan-1-ol is CC(C)(C)NCCC(F)(F)CCO.
What is the InChIKey of 5-(tert-butylamino)-3,3-difluoropentan-1-ol?
The InChIKey is HFASACIAIIJHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-8(2,3)12-6-4-9(10,11)5-7-13/h12-13H,4-7H2,1-3H3.
What are the key properties of 5-(tert-butylamino)-3,3-difluoropentan-1-ol?
5-(tert-butylamino)-3,3-difluoropentan-1-ol has a molecular weight of 195.25 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-3,3-difluoropentan-1-ol is sourced from PubChem (CID 153299938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).