but-1-enyl acetate;hydrofluoride

C6H11FO2 — CID 172761898

IUPACbut-1-enyl acetate;hydrofluoride
SMILESCCC=COC(C)=O.F
InChIInChI=1S/C6H10O2.FH/c1-3-4-5-8-6(2)7;/h4-5H,3H2,1-2H3;1H
InChIKeyLUKLJRBGZHDDBM-UHFFFAOYSA-N
MW134.15 g/mol
LogP1.63
Rot. Bonds2

About but-1-enyl acetate;hydrofluoride

but-1-enyl acetate;hydrofluoride (PubChem CID 172761898) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is but-1-enyl acetate;hydrofluoride.

Molecular Properties

Compound Namebut-1-enyl acetate;hydrofluoride
PubChem CID172761898
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Namebut-1-enyl acetate;hydrofluoride
SMILESCCC=COC(C)=O.F
InChIInChI=1S/C6H10O2.FH/c1-3-4-5-8-6(2)7;/h4-5H,3H2,1-2H3;1H
InChIKeyLUKLJRBGZHDDBM-UHFFFAOYSA-N
XLogP1.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

nona-1,6-dienyl acetate
CID 91219371
[(9Z)-dodeca-1,9-dienyl] acetate
CID 88595728
[(E)-3-hydroperoxyprop-1-enyl] acetate
CID 23268909
[(E)-hexadec-1-enyl] acetate
CID 5376351
(4-ethyl-4-methylhex-1-enyl) acetate
CID 175199082
bis(but-1-enyl) hexanedioate
CID 154102434
but-1-enyl 2-sulfanylacetate
CID 140996495
3-methylsulfanylprop-1-enyl acetate
CID 54439354
[(1Z,9Z)-hexadeca-1,9-dienyl] acetate
CID 175213059
[(1E,8Z)-tetradeca-1,8-dienyl] acetate
CID 11708627
2-ethoxyethenyl acetate
CID 548203
3-[[2-(3-acetyloxyprop-2-enylamino)-2-oxoacetyl]amino]prop-1-enyl acetate
CID 173335411

Frequently Asked Questions

What is the IUPAC name of but-1-enyl acetate;hydrofluoride?
The IUPAC name of but-1-enyl acetate;hydrofluoride (CID 172761898) is but-1-enyl acetate;hydrofluoride.
What is the SMILES notation for but-1-enyl acetate;hydrofluoride?
The canonical SMILES for but-1-enyl acetate;hydrofluoride is CCC=COC(C)=O.F.
What is the InChIKey of but-1-enyl acetate;hydrofluoride?
The InChIKey is LUKLJRBGZHDDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.FH/c1-3-4-5-8-6(2)7;/h4-5H,3H2,1-2H3;1H.
What are the key properties of but-1-enyl acetate;hydrofluoride?
but-1-enyl acetate;hydrofluoride has a molecular weight of 134.15 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enyl acetate;hydrofluoride is sourced from PubChem (CID 172761898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).