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

C17H23FO — CID 19798803

IUPAC1-[(E)-3-fluoroprop-2-enyl]-4-[4-(methoxymethyl)cyclohexyl]benzene
SMILESCOCC1CCC(c2ccc(C/C=C/F)cc2)CC1
InChIInChI=1S/C17H23FO/c1-19-13-15-6-10-17(11-7-15)16-8-4-14(5-9-16)3-2-12-18/h2,4-5,8-9,12,15,17H,3,6-7,10-11,13H2,1H3/b12-2+
InChIKeyJVYRDYZLXTXDEV-SWGQDTFXSA-N
MW262.37 g/mol
LogP4.63
Rot. Bonds5

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

1-[(E)-3-fluoroprop-2-enyl]-4-[4-(methoxymethyl)cyclohexyl]benzene (PubChem CID 19798803) has the molecular formula C17H23FO and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[(E)-3-fluoroprop-2-enyl]-4-[4-(methoxymethyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-[(E)-3-fluoroprop-2-enyl]-4-[4-(methoxymethyl)cyclohexyl]benzene
PubChem CID19798803
Molecular FormulaC17H23FO
Molecular Weight262.37 g/mol
Exact Mass262.17
IUPAC Name1-[(E)-3-fluoroprop-2-enyl]-4-[4-(methoxymethyl)cyclohexyl]benzene
SMILESCOCC1CCC(c2ccc(C/C=C/F)cc2)CC1
InChIInChI=1S/C17H23FO/c1-19-13-15-6-10-17(11-7-15)16-8-4-14(5-9-16)3-2-12-18/h2,4-5,8-9,12,15,17H,3,6-7,10-11,13H2,1H3/b12-2+
InChIKeyJVYRDYZLXTXDEV-SWGQDTFXSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-fluoroprop-2-enyl]-4-[4-(methoxymethyl)cyclohexyl]benzene?
The IUPAC name of 1-[(E)-3-fluoroprop-2-enyl]-4-[4-(methoxymethyl)cyclohexyl]benzene (CID 19798803) is 1-[(E)-3-fluoroprop-2-enyl]-4-[4-(methoxymethyl)cyclohexyl]benzene.
What is the SMILES notation for 1-[(E)-3-fluoroprop-2-enyl]-4-[4-(methoxymethyl)cyclohexyl]benzene?
The canonical SMILES for 1-[(E)-3-fluoroprop-2-enyl]-4-[4-(methoxymethyl)cyclohexyl]benzene is COCC1CCC(c2ccc(C/C=C/F)cc2)CC1.
What is the InChIKey of 1-[(E)-3-fluoroprop-2-enyl]-4-[4-(methoxymethyl)cyclohexyl]benzene?
The InChIKey is JVYRDYZLXTXDEV-SWGQDTFXSA-N. The full InChI is InChI=1S/C17H23FO/c1-19-13-15-6-10-17(11-7-15)16-8-4-14(5-9-16)3-2-12-18/h2,4-5,8-9,12,15,17H,3,6-7,10-11,13H2,1H3/b12-2+.
What are the key properties of 1-[(E)-3-fluoroprop-2-enyl]-4-[4-(methoxymethyl)cyclohexyl]benzene?
1-[(E)-3-fluoroprop-2-enyl]-4-[4-(methoxymethyl)cyclohexyl]benzene has a molecular weight of 262.37 g/mol, XLogP of 4.63, 5 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-[4-(methoxymethyl)cyclohexyl]benzene is sourced from PubChem (CID 19798803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).