[(E)-3-cyclohexyl-2-fluoroprop-2-enoxy]methylbenzene

C16H21FO — CID 14957617

IUPAC[(E)-3-cyclohexyl-2-fluoroprop-2-enoxy]methylbenzene
SMILESF/C(=C/C1CCCCC1)COCc1ccccc1
InChIInChI=1S/C16H21FO/c17-16(11-14-7-3-1-4-8-14)13-18-12-15-9-5-2-6-10-15/h2,5-6,9-11,14H,1,3-4,7-8,12-13H2/b16-11+
InChIKeySXMNNZMRASNEOC-LFIBNONCSA-N
MW248.34 g/mol
LogP4.64
Rot. Bonds5

About [(E)-3-cyclohexyl-2-fluoroprop-2-enoxy]methylbenzene

[(E)-3-cyclohexyl-2-fluoroprop-2-enoxy]methylbenzene (PubChem CID 14957617) has the molecular formula C16H21FO and a molecular weight of 248.34 g/mol. Its IUPAC name is [(E)-3-cyclohexyl-2-fluoroprop-2-enoxy]methylbenzene.

Molecular Properties

Compound Name[(E)-3-cyclohexyl-2-fluoroprop-2-enoxy]methylbenzene
PubChem CID14957617
Molecular FormulaC16H21FO
Molecular Weight248.34 g/mol
Exact Mass248.16
IUPAC Name[(E)-3-cyclohexyl-2-fluoroprop-2-enoxy]methylbenzene
SMILESF/C(=C/C1CCCCC1)COCc1ccccc1
InChIInChI=1S/C16H21FO/c17-16(11-14-7-3-1-4-8-14)13-18-12-15-9-5-2-6-10-15/h2,5-6,9-11,14H,1,3-4,7-8,12-13H2/b16-11+
InChIKeySXMNNZMRASNEOC-LFIBNONCSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-cyclohexyl-2-fluoroprop-2-enoxy]methylbenzene?
The IUPAC name of [(E)-3-cyclohexyl-2-fluoroprop-2-enoxy]methylbenzene (CID 14957617) is [(E)-3-cyclohexyl-2-fluoroprop-2-enoxy]methylbenzene.
What is the SMILES notation for [(E)-3-cyclohexyl-2-fluoroprop-2-enoxy]methylbenzene?
The canonical SMILES for [(E)-3-cyclohexyl-2-fluoroprop-2-enoxy]methylbenzene is F/C(=C/C1CCCCC1)COCc1ccccc1.
What is the InChIKey of [(E)-3-cyclohexyl-2-fluoroprop-2-enoxy]methylbenzene?
The InChIKey is SXMNNZMRASNEOC-LFIBNONCSA-N. The full InChI is InChI=1S/C16H21FO/c17-16(11-14-7-3-1-4-8-14)13-18-12-15-9-5-2-6-10-15/h2,5-6,9-11,14H,1,3-4,7-8,12-13H2/b16-11+.
What are the key properties of [(E)-3-cyclohexyl-2-fluoroprop-2-enoxy]methylbenzene?
[(E)-3-cyclohexyl-2-fluoroprop-2-enoxy]methylbenzene has a molecular weight of 248.34 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-cyclohexyl-2-fluoroprop-2-enoxy]methylbenzene is sourced from PubChem (CID 14957617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).