3-(3,3-dimethylbutylamino)-2,2-difluoropropan-1-ol

C9H19F2NO — CID 102673319

IUPAC3-(3,3-dimethylbutylamino)-2,2-difluoropropan-1-ol
SMILESCC(C)(C)CCNCC(F)(F)CO
InChIInChI=1S/C9H19F2NO/c1-8(2,3)4-5-12-6-9(10,11)7-13/h12-13H,4-7H2,1-3H3
InChIKeyQWPVOXYCEMRHRV-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.64
Rot. Bonds5

About 3-(3,3-dimethylbutylamino)-2,2-difluoropropan-1-ol

3-(3,3-dimethylbutylamino)-2,2-difluoropropan-1-ol (PubChem CID 102673319) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 3-(3,3-dimethylbutylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(3,3-dimethylbutylamino)-2,2-difluoropropan-1-ol
PubChem CID102673319
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name3-(3,3-dimethylbutylamino)-2,2-difluoropropan-1-ol
SMILESCC(C)(C)CCNCC(F)(F)CO
InChIInChI=1S/C9H19F2NO/c1-8(2,3)4-5-12-6-9(10,11)7-13/h12-13H,4-7H2,1-3H3
InChIKeyQWPVOXYCEMRHRV-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(3,3-dimethylbutylamino)-2,2-difluoropropan-1-ol (CID 102673319) is 3-(3,3-dimethylbutylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(3,3-dimethylbutylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(3,3-dimethylbutylamino)-2,2-difluoropropan-1-ol is CC(C)(C)CCNCC(F)(F)CO.
What is the InChIKey of 3-(3,3-dimethylbutylamino)-2,2-difluoropropan-1-ol?
The InChIKey is QWPVOXYCEMRHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-8(2,3)4-5-12-6-9(10,11)7-13/h12-13H,4-7H2,1-3H3.
What are the key properties of 3-(3,3-dimethylbutylamino)-2,2-difluoropropan-1-ol?
3-(3,3-dimethylbutylamino)-2,2-difluoropropan-1-ol has a molecular weight of 195.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 102673319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).