1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene

C16H21FO — CID 19798856

IUPAC1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene
SMILESCOCC1CCC(c2ccc(/C=C/F)cc2)CC1
InChIInChI=1S/C16H21FO/c1-18-12-14-4-8-16(9-5-14)15-6-2-13(3-7-15)10-11-17/h2-3,6-7,10-11,14,16H,4-5,8-9,12H2,1H3/b11-10+
InChIKeyYBMAUUOVHUVLGB-ZHACJKMWSA-N
MW248.34 g/mol
LogP4.55
Rot. Bonds4

About 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene

1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene (PubChem CID 19798856) has the molecular formula C16H21FO and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene
PubChem CID19798856
Molecular FormulaC16H21FO
Molecular Weight248.34 g/mol
Exact Mass248.16
IUPAC Name1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene
SMILESCOCC1CCC(c2ccc(/C=C/F)cc2)CC1
InChIInChI=1S/C16H21FO/c1-18-12-14-4-8-16(9-5-14)15-6-2-13(3-7-15)10-11-17/h2-3,6-7,10-11,14,16H,4-5,8-9,12H2,1H3/b11-10+
InChIKeyYBMAUUOVHUVLGB-ZHACJKMWSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene?
The IUPAC name of 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene (CID 19798856) is 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene.
What is the SMILES notation for 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene?
The canonical SMILES for 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene is COCC1CCC(c2ccc(/C=C/F)cc2)CC1.
What is the InChIKey of 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene?
The InChIKey is YBMAUUOVHUVLGB-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H21FO/c1-18-12-14-4-8-16(9-5-14)15-6-2-13(3-7-15)10-11-17/h2-3,6-7,10-11,14,16H,4-5,8-9,12H2,1H3/b11-10+.
What are the key properties of 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene?
1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene has a molecular weight of 248.34 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]benzene is sourced from PubChem (CID 19798856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).