[(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene

C16H21FO — CID 143381510

IUPAC[(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene
SMILESCC1CCCC1/C=C/C(F)COc1ccccc1
InChIInChI=1S/C16H21FO/c1-13-6-5-7-14(13)10-11-15(17)12-18-16-8-3-2-4-9-16/h2-4,8-11,13-15H,5-7,12H2,1H3/b11-10+
InChIKeyDGXIPXDFICYRLF-ZHACJKMWSA-N
MW248.34 g/mol
LogP4.40
Rot. Bonds5

About [(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene

[(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene (PubChem CID 143381510) has the molecular formula C16H21FO and a molecular weight of 248.34 g/mol. Its IUPAC name is [(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene.

Molecular Properties

Compound Name[(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene
PubChem CID143381510
Molecular FormulaC16H21FO
Molecular Weight248.34 g/mol
Exact Mass248.16
IUPAC Name[(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene
SMILESCC1CCCC1/C=C/C(F)COc1ccccc1
InChIInChI=1S/C16H21FO/c1-13-6-5-7-14(13)10-11-15(17)12-18-16-8-3-2-4-9-16/h2-4,8-11,13-15H,5-7,12H2,1H3/b11-10+
InChIKeyDGXIPXDFICYRLF-ZHACJKMWSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

fluoromethane;[(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene;hept-2-ene;3-[4-(3-nitrooxypropyl)piperazin-1-yl]propyl formate
CID 143381509
[(E)-2-fluoro-5-propyloct-3-enoxy]benzene
CID 143381444
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
[(E)-5-ethyl-2-fluoronon-3-enoxy]benzene
CID 143381408
2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol
CID 143381541
2,3-difluorobutoxybenzene
CID 53412752
(2-bromo-2-fluoroethoxy)benzene
CID 175098027
2,3-difluoropropoxybenzene
CID 141126062
1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine
CID 62716713
2-(phenoxymethyl)pent-3-enoxybenzene
CID 141070463
(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423161
(2S)-1-[(2S)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423190

Frequently Asked Questions

What is the IUPAC name of [(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene?
The IUPAC name of [(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene (CID 143381510) is [(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene.
What is the SMILES notation for [(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene?
The canonical SMILES for [(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene is CC1CCCC1/C=C/C(F)COc1ccccc1.
What is the InChIKey of [(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene?
The InChIKey is DGXIPXDFICYRLF-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H21FO/c1-13-6-5-7-14(13)10-11-15(17)12-18-16-8-3-2-4-9-16/h2-4,8-11,13-15H,5-7,12H2,1H3/b11-10+.
What are the key properties of [(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene?
[(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene has a molecular weight of 248.34 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene is sourced from PubChem (CID 143381510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).