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

C7H15F2NO — CID 106173032

IUPAC3-(butylamino)-2,2-difluoropropan-1-ol
SMILESCCCCNCC(F)(F)CO
InChIInChI=1S/C7H15F2NO/c1-2-3-4-10-5-7(8,9)6-11/h10-11H,2-6H2,1H3
InChIKeyDARAGBCBHNQMIR-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.00
Rot. Bonds6

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

3-(butylamino)-2,2-difluoropropan-1-ol (PubChem CID 106173032) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 3-(butylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(butylamino)-2,2-difluoropropan-1-ol
PubChem CID106173032
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name3-(butylamino)-2,2-difluoropropan-1-ol
SMILESCCCCNCC(F)(F)CO
InChIInChI=1S/C7H15F2NO/c1-2-3-4-10-5-7(8,9)6-11/h10-11H,2-6H2,1H3
InChIKeyDARAGBCBHNQMIR-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.00
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-(butylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(butylamino)-2,2-difluoropropan-1-ol (CID 106173032) is 3-(butylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(butylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(butylamino)-2,2-difluoropropan-1-ol is CCCCNCC(F)(F)CO.
What is the InChIKey of 3-(butylamino)-2,2-difluoropropan-1-ol?
The InChIKey is DARAGBCBHNQMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-2-3-4-10-5-7(8,9)6-11/h10-11H,2-6H2,1H3.
What are the key properties of 3-(butylamino)-2,2-difluoropropan-1-ol?
3-(butylamino)-2,2-difluoropropan-1-ol has a molecular weight of 167.20 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106173032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).