1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene

C15H18F4O3 — CID 153282425

IUPAC1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene
SMILESCCOc1ccc(OCC2CCCC2)c(OC(F)(F)F)c1F
InChIInChI=1S/C15H18F4O3/c1-2-20-11-7-8-12(21-9-10-5-3-4-6-10)14(13(11)16)22-15(17,18)19/h7-8,10H,2-6,9H2,1H3
InChIKeyHZHYKHCVJUXMPI-UHFFFAOYSA-N
MW322.30 g/mol
LogP4.69
Rot. Bonds6

About 1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene

1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene (PubChem CID 153282425) has the molecular formula C15H18F4O3 and a molecular weight of 322.30 g/mol. Its IUPAC name is 1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene
PubChem CID153282425
Molecular FormulaC15H18F4O3
Molecular Weight322.30 g/mol
Exact Mass322.12
IUPAC Name1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene
SMILESCCOc1ccc(OCC2CCCC2)c(OC(F)(F)F)c1F
InChIInChI=1S/C15H18F4O3/c1-2-20-11-7-8-12(21-9-10-5-3-4-6-10)14(13(11)16)22-15(17,18)19/h7-8,10H,2-6,9H2,1H3
InChIKeyHZHYKHCVJUXMPI-UHFFFAOYSA-N
XLogP4.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282615
2-(cyclopentylmethoxy)-7-ethoxy-1,8-difluorophenanthrene
CID 177267198
1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282549
1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-fluoro-2-(trifluoromethoxy)benzene
CID 148983725
1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene
CID 162061698
1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene
CID 148649365
1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282322
1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene
CID 148723204
1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene
CID 59203793
1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene
CID 159362003
1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282527
1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene
CID 158334858

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene (CID 153282425) is 1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene is CCOc1ccc(OCC2CCCC2)c(OC(F)(F)F)c1F.
What is the InChIKey of 1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene?
The InChIKey is HZHYKHCVJUXMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4O3/c1-2-20-11-7-8-12(21-9-10-5-3-4-6-10)14(13(11)16)22-15(17,18)19/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene?
1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene has a molecular weight of 322.30 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 153282425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).