2-fluoro-4-methylpent-1-en-3-one

C6H9FO — CID 135183491

IUPAC2-fluoro-4-methylpent-1-en-3-one
SMILESC=C(F)C(=O)C(C)C
InChIInChI=1S/C6H9FO/c1-4(2)6(8)5(3)7/h4H,3H2,1-2H3
InChIKeyRSJQTGXKSMGYKH-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.69
Rot. Bonds2

About 2-fluoro-4-methylpent-1-en-3-one

2-fluoro-4-methylpent-1-en-3-one (PubChem CID 135183491) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 2-fluoro-4-methylpent-1-en-3-one.

Molecular Properties

Compound Name2-fluoro-4-methylpent-1-en-3-one
PubChem CID135183491
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name2-fluoro-4-methylpent-1-en-3-one
SMILESC=C(F)C(=O)C(C)C
InChIInChI=1S/C6H9FO/c1-4(2)6(8)5(3)7/h4H,3H2,1-2H3
InChIKeyRSJQTGXKSMGYKH-UHFFFAOYSA-N
XLogP1.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(trifluoromethyl)pent-1-en-3-one
CID 90085029
3-fluorobut-3-en-2-one
CID 158766969
2,6-dimethyl-4-methylideneheptan-3-one
CID 168819259
acetic acid;3-methylbut-1-en-2-ol
CID 71446576
1-cyclopropyl-4-methyl-2-methylidenepentane-1,3-dione
CID 140656143
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
methyl 3-methyl-2-methylidenebutanoate
CID 534902
4-ethenoxy-2-methylhex-4-en-3-one
CID 90754214
magnesium;hydride;3-methyl-2-oxobutanoic acid
CID 174910214
2-fluoroprop-2-enoic acid;hydrochloride
CID 87142297
iodo 2-fluoroprop-2-enoate
CID 166890088
calcium;bis(3-methyl-2-oxobutanoate);hydrate
CID 71317401

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylpent-1-en-3-one?
The IUPAC name of 2-fluoro-4-methylpent-1-en-3-one (CID 135183491) is 2-fluoro-4-methylpent-1-en-3-one.
What is the SMILES notation for 2-fluoro-4-methylpent-1-en-3-one?
The canonical SMILES for 2-fluoro-4-methylpent-1-en-3-one is C=C(F)C(=O)C(C)C.
What is the InChIKey of 2-fluoro-4-methylpent-1-en-3-one?
The InChIKey is RSJQTGXKSMGYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c1-4(2)6(8)5(3)7/h4H,3H2,1-2H3.
What are the key properties of 2-fluoro-4-methylpent-1-en-3-one?
2-fluoro-4-methylpent-1-en-3-one has a molecular weight of 116.13 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylpent-1-en-3-one is sourced from PubChem (CID 135183491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).