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

C9H17F2NO — CID 104582908

IUPAC1,1-difluoro-3-(hex-5-en-2-ylamino)propan-2-ol
SMILESC=CCCC(C)NCC(O)C(F)F
InChIInChI=1S/C9H17F2NO/c1-3-4-5-7(2)12-6-8(13)9(10)11/h3,7-9,12-13H,1,4-6H2,2H3
InChIKeyYPXBFEVGJFZGMT-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.56
Rot. Bonds7

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

1,1-difluoro-3-(hex-5-en-2-ylamino)propan-2-ol (PubChem CID 104582908) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1,1-difluoro-3-(hex-5-en-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(hex-5-en-2-ylamino)propan-2-ol
PubChem CID104582908
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1,1-difluoro-3-(hex-5-en-2-ylamino)propan-2-ol
SMILESC=CCCC(C)NCC(O)C(F)F
InChIInChI=1S/C9H17F2NO/c1-3-4-5-7(2)12-6-8(13)9(10)11/h3,7-9,12-13H,1,4-6H2,2H3
InChIKeyYPXBFEVGJFZGMT-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 1,1-difluoro-3-(hex-5-en-2-ylamino)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(hex-5-en-2-ylamino)propan-2-ol (CID 104582908) is 1,1-difluoro-3-(hex-5-en-2-ylamino)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(hex-5-en-2-ylamino)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(hex-5-en-2-ylamino)propan-2-ol is C=CCCC(C)NCC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(hex-5-en-2-ylamino)propan-2-ol?
The InChIKey is YPXBFEVGJFZGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-3-4-5-7(2)12-6-8(13)9(10)11/h3,7-9,12-13H,1,4-6H2,2H3.
What are the key properties of 1,1-difluoro-3-(hex-5-en-2-ylamino)propan-2-ol?
1,1-difluoro-3-(hex-5-en-2-ylamino)propan-2-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 1,1-difluoro-3-(hex-5-en-2-ylamino)propan-2-ol is sourced from PubChem (CID 104582908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).