1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene

C18H22F4O3 — CID 153282615

IUPAC1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene
SMILESFc1c(OCC2CCC2)ccc(OCCC2CCC2)c1OC(F)(F)F
InChIInChI=1S/C18H22F4O3/c19-16-14(24-11-13-5-2-6-13)7-8-15(17(16)25-18(20,21)22)23-10-9-12-3-1-4-12/h7-8,12-13H,1-6,9-11H2
InChIKeyXRWLSRRLGRXKQF-UHFFFAOYSA-N
MW362.36 g/mol
LogP5.47
Rot. Bonds8

About 1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene

1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene (PubChem CID 153282615) has the molecular formula C18H22F4O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is 1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene
PubChem CID153282615
Molecular FormulaC18H22F4O3
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC Name1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene
SMILESFc1c(OCC2CCC2)ccc(OCCC2CCC2)c1OC(F)(F)F
InChIInChI=1S/C18H22F4O3/c19-16-14(24-11-13-5-2-6-13)7-8-15(17(16)25-18(20,21)22)23-10-9-12-3-1-4-12/h7-8,12-13H,1-6,9-11H2
InChIKeyXRWLSRRLGRXKQF-UHFFFAOYSA-N
XLogP5.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.36
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282425
1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282633
1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282527
1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282549
1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene
CID 158334858
1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene
CID 148649365
1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-fluoro-2-(trifluoromethoxy)benzene
CID 148983725
1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282322
1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene
CID 162061698
2-(cyclopentylmethoxy)-7-ethoxy-1,8-difluorophenanthrene
CID 177267198
1-cyclopentyl-4-(2-cyclopentylethoxy)-2-fluoro-3-(trifluoromethoxy)benzene;1-cyclopentyl-4-(cyclopentylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene;1-cyclopentyl-4-cyclopentyloxy-2-fluoro-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene;1-(cyclopentylmethyl)-4-cyclopentyloxy-2-fluoro-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2-fluoro-3-(trifluoromethoxy)benzene;1-cyclopropyloxy-4-[(E)-3-cyclopropylprop-2-enyl]-3-fluoro-2-(trifluoromethoxy)benzene
CID 159603887
1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene
CID 148723204

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene (CID 153282615) is 1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene is Fc1c(OCC2CCC2)ccc(OCCC2CCC2)c1OC(F)(F)F.
What is the InChIKey of 1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene?
The InChIKey is XRWLSRRLGRXKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4O3/c19-16-14(24-11-13-5-2-6-13)7-8-15(17(16)25-18(20,21)22)23-10-9-12-3-1-4-12/h7-8,12-13H,1-6,9-11H2.
What are the key properties of 1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene?
1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene has a molecular weight of 362.36 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 153282615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).