1-ethyl-3-fluoro-2-(2-methylprop-2-enyl)benzene;formamide;propane

C16H26FNO — CID 143661689

IUPAC1-ethyl-3-fluoro-2-(2-methylprop-2-enyl)benzene;formamide;propane
SMILESC=C(C)Cc1c(F)cccc1CC.CCC.NC=O
InChIInChI=1S/C12H15F.C3H8.CH3NO/c1-4-10-6-5-7-12(13)11(10)8-9(2)3;1-3-2;2-1-3/h5-7H,2,4,8H2,1,3H3;3H2,1-2H3;1H,(H2,2,3)
InChIKeyYLISKAAQRCYZSX-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.02
Rot. Bonds3

About 1-ethyl-3-fluoro-2-(2-methylprop-2-enyl)benzene;formamide;propane

1-ethyl-3-fluoro-2-(2-methylprop-2-enyl)benzene;formamide;propane (PubChem CID 143661689) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-2-(2-methylprop-2-enyl)benzene;formamide;propane.

Molecular Properties

Compound Name1-ethyl-3-fluoro-2-(2-methylprop-2-enyl)benzene;formamide;propane
PubChem CID143661689
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-ethyl-3-fluoro-2-(2-methylprop-2-enyl)benzene;formamide;propane
SMILESC=C(C)Cc1c(F)cccc1CC.CCC.NC=O
InChIInChI=1S/C12H15F.C3H8.CH3NO/c1-4-10-6-5-7-12(13)11(10)8-9(2)3;1-3-2;2-1-3/h5-7H,2,4,8H2,1,3H3;3H2,1-2H3;1H,(H2,2,3)
InChIKeyYLISKAAQRCYZSX-UHFFFAOYSA-N
XLogP4.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluorophenyl)-3-methylbut-3-en-2-one
CID 115780969
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
1-[2-(bromomethyl)-6-fluorophenyl]propan-2-one
CID 130968306
1,2-diethylbenzene;formamide
CID 157370947
1-(2,6-difluorophenyl)-5-methylhex-5-en-2-one
CID 115802901
2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide
CID 114618657
1-(2,6-difluorophenyl)-3-methylbut-3-en-1-one
CID 79522478
1-(2-ethyl-6-fluorophenyl)propan-1-one
CID 118835757
1,2-diethyl-3-phenylbenzene;formamide
CID 90113659
2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane
CID 144515584
1-ethyl-3-fluoro-2-methylbenzene
CID 18711825
1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine
CID 105005725

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-2-(2-methylprop-2-enyl)benzene;formamide;propane?
The IUPAC name of 1-ethyl-3-fluoro-2-(2-methylprop-2-enyl)benzene;formamide;propane (CID 143661689) is 1-ethyl-3-fluoro-2-(2-methylprop-2-enyl)benzene;formamide;propane.
What is the SMILES notation for 1-ethyl-3-fluoro-2-(2-methylprop-2-enyl)benzene;formamide;propane?
The canonical SMILES for 1-ethyl-3-fluoro-2-(2-methylprop-2-enyl)benzene;formamide;propane is C=C(C)Cc1c(F)cccc1CC.CCC.NC=O.
What is the InChIKey of 1-ethyl-3-fluoro-2-(2-methylprop-2-enyl)benzene;formamide;propane?
The InChIKey is YLISKAAQRCYZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F.C3H8.CH3NO/c1-4-10-6-5-7-12(13)11(10)8-9(2)3;1-3-2;2-1-3/h5-7H,2,4,8H2,1,3H3;3H2,1-2H3;1H,(H2,2,3).
What are the key properties of 1-ethyl-3-fluoro-2-(2-methylprop-2-enyl)benzene;formamide;propane?
1-ethyl-3-fluoro-2-(2-methylprop-2-enyl)benzene;formamide;propane has a molecular weight of 267.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-2-(2-methylprop-2-enyl)benzene;formamide;propane is sourced from PubChem (CID 143661689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).