2,2-difluoro-3-(hex-5-en-2-ylamino)propan-1-ol

C9H17F2NO — CID 104860513

IUPAC2,2-difluoro-3-(hex-5-en-2-ylamino)propan-1-ol
SMILESC=CCCC(C)NCC(F)(F)CO
InChIInChI=1S/C9H17F2NO/c1-3-4-5-8(2)12-6-9(10,11)7-13/h3,8,12-13H,1,4-7H2,2H3
InChIKeyILCJVFYNUYGILO-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.56
Rot. Bonds7

About 2,2-difluoro-3-(hex-5-en-2-ylamino)propan-1-ol

2,2-difluoro-3-(hex-5-en-2-ylamino)propan-1-ol (PubChem CID 104860513) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2,2-difluoro-3-(hex-5-en-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(hex-5-en-2-ylamino)propan-1-ol
PubChem CID104860513
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2,2-difluoro-3-(hex-5-en-2-ylamino)propan-1-ol
SMILESC=CCCC(C)NCC(F)(F)CO
InChIInChI=1S/C9H17F2NO/c1-3-4-5-8(2)12-6-9(10,11)7-13/h3,8,12-13H,1,4-7H2,2H3
InChIKeyILCJVFYNUYGILO-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(hex-5-en-2-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(hex-5-en-2-ylamino)propan-1-ol (CID 104860513) is 2,2-difluoro-3-(hex-5-en-2-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(hex-5-en-2-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(hex-5-en-2-ylamino)propan-1-ol is C=CCCC(C)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(hex-5-en-2-ylamino)propan-1-ol?
The InChIKey is ILCJVFYNUYGILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-3-4-5-8(2)12-6-9(10,11)7-13/h3,8,12-13H,1,4-7H2,2H3.
What are the key properties of 2,2-difluoro-3-(hex-5-en-2-ylamino)propan-1-ol?
2,2-difluoro-3-(hex-5-en-2-ylamino)propan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(hex-5-en-2-ylamino)propan-1-ol is sourced from PubChem (CID 104860513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).