1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene

C19H27FO — CID 19781025

IUPAC1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene
SMILESCOCC1CCC(CCc2ccc(C/C=C/F)cc2)CC1
InChIInChI=1S/C19H27FO/c1-21-15-19-12-10-18(11-13-19)9-8-17-6-4-16(5-7-17)3-2-14-20/h2,4-7,14,18-19H,3,8-13,15H2,1H3/b14-2+
InChIKeyQWZUIIUZOFDSAZ-JLZUIIAYSA-N
MW290.42 g/mol
LogP5.10
Rot. Bonds7

About 1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene

1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene (PubChem CID 19781025) has the molecular formula C19H27FO and a molecular weight of 290.42 g/mol. Its IUPAC name is 1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene
PubChem CID19781025
Molecular FormulaC19H27FO
Molecular Weight290.42 g/mol
Exact Mass290.20
IUPAC Name1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene
SMILESCOCC1CCC(CCc2ccc(C/C=C/F)cc2)CC1
InChIInChI=1S/C19H27FO/c1-21-15-19-12-10-18(11-13-19)9-8-17-6-4-16(5-7-17)3-2-14-20/h2,4-7,14,18-19H,3,8-13,15H2,1H3/b14-2+
InChIKeyQWZUIIUZOFDSAZ-JLZUIIAYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.42
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 19798745
1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene
CID 23297290
2-fluoro-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]-1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CID 54120723
1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]benzene
CID 22080411
4-[2-[4-[(E)-6-fluorohex-5-enyl]cyclohexyl]ethyl]benzonitrile
CID 19798829
1-(3-fluoroprop-2-enyl)-4-(4-hexylcyclohexyl)benzene
CID 54219103
1-(methoxymethyl)-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 19899769
1-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]-4-[4-(2-methoxyethyl)phenyl]benzene
CID 54002608
1,2,3-trifluoro-6-[2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]ethynyl]naphthalene
CID 139858278
1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene
CID 67859119
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene (CID 19781025) is 1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene is COCC1CCC(CCc2ccc(C/C=C/F)cc2)CC1.
What is the InChIKey of 1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene?
The InChIKey is QWZUIIUZOFDSAZ-JLZUIIAYSA-N. The full InChI is InChI=1S/C19H27FO/c1-21-15-19-12-10-18(11-13-19)9-8-17-6-4-16(5-7-17)3-2-14-20/h2,4-7,14,18-19H,3,8-13,15H2,1H3/b14-2+.
What are the key properties of 1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene?
1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene has a molecular weight of 290.42 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-fluoroprop-2-enyl]-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 19781025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).