2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene

C10H8F4O — CID 167530937

IUPAC2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene
SMILESCO/C=C/c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C10H8F4O/c1-15-5-4-7-2-3-8(6-9(7)11)10(12,13)14/h2-6H,1H3/b5-4+
InChIKeyDNJYBKKEOFAGMW-SNAWJCMRSA-N
MW220.17 g/mol
LogP3.46
Rot. Bonds2

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

2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene (PubChem CID 167530937) has the molecular formula C10H8F4O and a molecular weight of 220.17 g/mol. Its IUPAC name is 2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene
PubChem CID167530937
Molecular FormulaC10H8F4O
Molecular Weight220.17 g/mol
Exact Mass220.05
IUPAC Name2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene
SMILESCO/C=C/c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C10H8F4O/c1-15-5-4-7-2-3-8(6-9(7)11)10(12,13)14/h2-6H,1H3/b5-4+
InChIKeyDNJYBKKEOFAGMW-SNAWJCMRSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 53.46
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-[(Z)-prop-1-enyl]-4-(trifluoromethyl)benzene
CID 156793075
3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463995
ethyl (E)-3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoate
CID 10825341
4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477046
3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide
CID 59265123
1-(dimethoxymethyl)-2-fluoro-4-(trifluoromethyl)benzene;2-fluoro-4-(trifluoromethyl)benzaldehyde
CID 158629586
1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 59729397
N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465950
S-[4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-enyl] ethanethioate
CID 170480614
methyl 3-[2-fluoro-5-(trifluoromethyl)phenyl]prop-2-enoate
CID 169479337
[2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol
CID 171823177
ethyl 2-[3-fluoro-4-[(E)-2-methoxyethenyl]phenoxy]-2-methylpropanoate
CID 153411971

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene (CID 167530937) is 2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene is CO/C=C/c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene?
The InChIKey is DNJYBKKEOFAGMW-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H8F4O/c1-15-5-4-7-2-3-8(6-9(7)11)10(12,13)14/h2-6H,1H3/b5-4+.
What are the key properties of 2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene?
2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene has a molecular weight of 220.17 g/mol, XLogP of 3.46, 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-(trifluoromethyl)benzene is sourced from PubChem (CID 167530937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).