1-fluoro-4-(hex-5-en-2-ylamino)butan-2-one

C10H18FNO — CID 144774162

IUPAC1-fluoro-4-(hex-5-en-2-ylamino)butan-2-one
SMILESC=CCCC(C)NCCC(=O)CF
InChIInChI=1S/C10H18FNO/c1-3-4-5-9(2)12-7-6-10(13)8-11/h3,9,12H,1,4-8H2,2H3
InChIKeyFERYSZVPCNXPFP-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.86
Rot. Bonds8

About 1-fluoro-4-(hex-5-en-2-ylamino)butan-2-one

1-fluoro-4-(hex-5-en-2-ylamino)butan-2-one (PubChem CID 144774162) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-fluoro-4-(hex-5-en-2-ylamino)butan-2-one.

Molecular Properties

Compound Name1-fluoro-4-(hex-5-en-2-ylamino)butan-2-one
PubChem CID144774162
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name1-fluoro-4-(hex-5-en-2-ylamino)butan-2-one
SMILESC=CCCC(C)NCCC(=O)CF
InChIInChI=1S/C10H18FNO/c1-3-4-5-9(2)12-7-6-10(13)8-11/h3,9,12H,1,4-8H2,2H3
InChIKeyFERYSZVPCNXPFP-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
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-fluoro-4-(hex-5-en-2-ylamino)butan-2-one?
The IUPAC name of 1-fluoro-4-(hex-5-en-2-ylamino)butan-2-one (CID 144774162) is 1-fluoro-4-(hex-5-en-2-ylamino)butan-2-one.
What is the SMILES notation for 1-fluoro-4-(hex-5-en-2-ylamino)butan-2-one?
The canonical SMILES for 1-fluoro-4-(hex-5-en-2-ylamino)butan-2-one is C=CCCC(C)NCCC(=O)CF.
What is the InChIKey of 1-fluoro-4-(hex-5-en-2-ylamino)butan-2-one?
The InChIKey is FERYSZVPCNXPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-3-4-5-9(2)12-7-6-10(13)8-11/h3,9,12H,1,4-8H2,2H3.
What are the key properties of 1-fluoro-4-(hex-5-en-2-ylamino)butan-2-one?
1-fluoro-4-(hex-5-en-2-ylamino)butan-2-one has a molecular weight of 187.26 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(hex-5-en-2-ylamino)butan-2-one is sourced from PubChem (CID 144774162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).