2-fluoro-4-[(E)-3-(3-fluoro-4-methoxyphenyl)but-1-enyl]-1-methoxybenzene

C18H18F2O2 — CID 134849613

IUPAC2-fluoro-4-[(E)-3-(3-fluoro-4-methoxyphenyl)but-1-enyl]-1-methoxybenzene
SMILESCOc1ccc(/C=C/C(C)c2ccc(OC)c(F)c2)cc1F
InChIInChI=1S/C18H18F2O2/c1-12(14-7-9-18(22-3)16(20)11-14)4-5-13-6-8-17(21-2)15(19)10-13/h4-12H,1-3H3/b5-4+
InChIKeyIGNRZFMLLZNEQC-SNAWJCMRSA-N
MW304.34 g/mol
LogP4.80
Rot. Bonds5

About 2-fluoro-4-[(E)-3-(3-fluoro-4-methoxyphenyl)but-1-enyl]-1-methoxybenzene

2-fluoro-4-[(E)-3-(3-fluoro-4-methoxyphenyl)but-1-enyl]-1-methoxybenzene (PubChem CID 134849613) has the molecular formula C18H18F2O2 and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-fluoro-4-[(E)-3-(3-fluoro-4-methoxyphenyl)but-1-enyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-fluoro-4-[(E)-3-(3-fluoro-4-methoxyphenyl)but-1-enyl]-1-methoxybenzene
PubChem CID134849613
Molecular FormulaC18H18F2O2
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name2-fluoro-4-[(E)-3-(3-fluoro-4-methoxyphenyl)but-1-enyl]-1-methoxybenzene
SMILESCOc1ccc(/C=C/C(C)c2ccc(OC)c(F)c2)cc1F
InChIInChI=1S/C18H18F2O2/c1-12(14-7-9-18(22-3)16(20)11-14)4-5-13-6-8-17(21-2)15(19)10-13/h4-12H,1-3H3/b5-4+
InChIKeyIGNRZFMLLZNEQC-SNAWJCMRSA-N
XLogP4.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-3-chlorobut-1-enyl]-2-fluoro-1-methoxybenzene
CID 130539005
2-fluoro-1-methoxy-4-[(Z)-prop-1-enyl]benzene
CID 89214700
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
4-(dichloromethyl)-2-fluoro-1-methoxybenzene
CID 150361147
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene
CID 149183279
(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 92855049
(2S)-2-bromo-2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 135263435
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(E)-3-(3-fluoro-4-methoxyphenyl)but-1-enyl]-1-methoxybenzene?
The IUPAC name of 2-fluoro-4-[(E)-3-(3-fluoro-4-methoxyphenyl)but-1-enyl]-1-methoxybenzene (CID 134849613) is 2-fluoro-4-[(E)-3-(3-fluoro-4-methoxyphenyl)but-1-enyl]-1-methoxybenzene.
What is the SMILES notation for 2-fluoro-4-[(E)-3-(3-fluoro-4-methoxyphenyl)but-1-enyl]-1-methoxybenzene?
The canonical SMILES for 2-fluoro-4-[(E)-3-(3-fluoro-4-methoxyphenyl)but-1-enyl]-1-methoxybenzene is COc1ccc(/C=C/C(C)c2ccc(OC)c(F)c2)cc1F.
What is the InChIKey of 2-fluoro-4-[(E)-3-(3-fluoro-4-methoxyphenyl)but-1-enyl]-1-methoxybenzene?
The InChIKey is IGNRZFMLLZNEQC-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H18F2O2/c1-12(14-7-9-18(22-3)16(20)11-14)4-5-13-6-8-17(21-2)15(19)10-13/h4-12H,1-3H3/b5-4+.
What are the key properties of 2-fluoro-4-[(E)-3-(3-fluoro-4-methoxyphenyl)but-1-enyl]-1-methoxybenzene?
2-fluoro-4-[(E)-3-(3-fluoro-4-methoxyphenyl)but-1-enyl]-1-methoxybenzene has a molecular weight of 304.34 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(E)-3-(3-fluoro-4-methoxyphenyl)but-1-enyl]-1-methoxybenzene is sourced from PubChem (CID 134849613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).