1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene

C15H21FO — CID 178142290

IUPAC1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(OC(C)C2(F)CC2)cc1
InChIInChI=1S/C15H21FO/c1-11(2)10-13-4-6-14(7-5-13)17-12(3)15(16)8-9-15/h4-7,11-12H,8-10H2,1-3H3
InChIKeyWBPSQYVGIZTBNY-UHFFFAOYSA-N
MW236.33 g/mol
LogP4.15
Rot. Bonds5

About 1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene

1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene (PubChem CID 178142290) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene
PubChem CID178142290
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(OC(C)C2(F)CC2)cc1
InChIInChI=1S/C15H21FO/c1-11(2)10-13-4-6-14(7-5-13)17-12(3)15(16)8-9-15/h4-7,11-12H,8-10H2,1-3H3
InChIKeyWBPSQYVGIZTBNY-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene
CID 178142279
ethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene
CID 170577342
3-[4-(2-methylpropyl)phenoxy]but-1-en-2-ol
CID 70658312
1-[2-(2-methylpropoxy)ethoxy]-4-(2-methylpropyl)benzene
CID 134169966
1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 116932038
1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene
CID 178142044
ethane;4-(2-methylpropyl)benzenethiol
CID 143751683
4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine
CID 63156729
N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 170239440
2-[4-(2-methylpropyl)phenoxy]ethanamine
CID 96670599
ethane;2-methylpropylbenzene
CID 162200929
1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene
CID 178142552

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene?
The IUPAC name of 1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene (CID 178142290) is 1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(OC(C)C2(F)CC2)cc1.
What is the InChIKey of 1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene?
The InChIKey is WBPSQYVGIZTBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-11(2)10-13-4-6-14(7-5-13)17-12(3)15(16)8-9-15/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of 1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene?
1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene has a molecular weight of 236.33 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene is sourced from PubChem (CID 178142290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).