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

C19H24F4O2 — CID 153282549

IUPAC1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene
SMILESFc1c(CC2CCCC2)ccc(OCC2CCCC2)c1OC(F)(F)F
InChIInChI=1S/C19H24F4O2/c20-17-15(11-13-5-1-2-6-13)9-10-16(18(17)25-19(21,22)23)24-12-14-7-3-4-8-14/h9-10,13-14H,1-8,11-12H2
InChIKeySOXRSMFQYPOCIK-UHFFFAOYSA-N
MW360.39 g/mol
LogP6.03
Rot. Bonds6

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

1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene (PubChem CID 153282549) has the molecular formula C19H24F4O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene
PubChem CID153282549
Molecular FormulaC19H24F4O2
Molecular Weight360.39 g/mol
Exact Mass360.17
IUPAC Name1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene
SMILESFc1c(CC2CCCC2)ccc(OCC2CCCC2)c1OC(F)(F)F
InChIInChI=1S/C19H24F4O2/c20-17-15(11-13-5-1-2-6-13)9-10-16(18(17)25-19(21,22)23)24-12-14-7-3-4-8-14/h9-10,13-14H,1-8,11-12H2
InChIKeySOXRSMFQYPOCIK-UHFFFAOYSA-N
XLogP6.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.39
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282633
1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282425
1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-fluoro-2-(trifluoromethoxy)benzene
CID 148983725
1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282615
1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene
CID 148649365
1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene
CID 159362003
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-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene
CID 162061698
1-(cyclobutylmethoxy)-4-[(E)-3-cyclobutylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene
CID 161037979
1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene
CID 157180852
2-(cyclopentylmethoxy)-7-ethoxy-1,8-difluorophenanthrene
CID 177267198
[2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine
CID 107532694

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene (CID 153282549) is 1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene is Fc1c(CC2CCCC2)ccc(OCC2CCCC2)c1OC(F)(F)F.
What is the InChIKey of 1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene?
The InChIKey is SOXRSMFQYPOCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F4O2/c20-17-15(11-13-5-1-2-6-13)9-10-16(18(17)25-19(21,22)23)24-12-14-7-3-4-8-14/h9-10,13-14H,1-8,11-12H2.
What are the key properties of 1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene?
1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene has a molecular weight of 360.39 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 153282549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).