2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene

C10H11FO — CID 167530935

IUPAC2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene
SMILESCO/C=C/c1ccc(C)cc1F
InChIInChI=1S/C10H11FO/c1-8-3-4-9(5-6-12-2)10(11)7-8/h3-7H,1-2H3/b6-5+
InChIKeyBFEIJJHHJMIFIX-AATRIKPKSA-N
MW166.19 g/mol
LogP2.75
Rot. Bonds2

About 2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene

2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene (PubChem CID 167530935) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene
PubChem CID167530935
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene
SMILESCO/C=C/c1ccc(C)cc1F
InChIInChI=1S/C10H11FO/c1-8-3-4-9(5-6-12-2)10(11)7-8/h3-7H,1-2H3/b6-5+
InChIKeyBFEIJJHHJMIFIX-AATRIKPKSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene
CID 167530937
4-[2-(2-fluoro-4-methylphenyl)ethenyl]pyridine
CID 176726557
2-chloro-4-fluoro-1-[(E)-2-methoxyethenyl]benzene
CID 167530794
3-(2-fluoro-4-methylphenyl)-N-methylprop-2-enamide
CID 123323117
ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate
CID 153411971
2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene
CID 143545189
formaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene
CID 145155759
1-fluoro-4-[(Z)-2-methoxyethenyl]benzene
CID 5370161
N-[(E)-(2-fluoro-4-methylphenyl)methylideneamino]-N-methylmethanamine
CID 121216092
2-fluoro-1-[3-fluoro-4-[3-fluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]phenyl]-4-methylbenzene
CID 143726949
1-[(E)-2-[4-[2-[3-ethoxy-4-[(E)-2-(2-ethoxy-4-methylphenyl)ethenyl]phenyl]ethyl]-2-fluorophenyl]ethenyl]-2-fluoro-4-methylbenzene
CID 154473786
(E)-3-(2-fluoro-4-methylphenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one
CID 87237188

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene?
The IUPAC name of 2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene (CID 167530935) is 2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene.
What is the SMILES notation for 2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene?
The canonical SMILES for 2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene is CO/C=C/c1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene?
The InChIKey is BFEIJJHHJMIFIX-AATRIKPKSA-N. The full InChI is InChI=1S/C10H11FO/c1-8-3-4-9(5-6-12-2)10(11)7-8/h3-7H,1-2H3/b6-5+.
What are the key properties of 2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene?
2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene has a molecular weight of 166.19 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene is sourced from PubChem (CID 167530935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).