2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene

C18H15F3O — CID 134473145

IUPAC2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene
SMILESFc1ccc2c(c1F)-c1c-2ccc(OCC2CCCC2)c1F
InChIInChI=1S/C18H15F3O/c19-13-7-5-11-12-6-8-14(22-9-10-3-1-2-4-10)18(21)16(12)15(11)17(13)20/h5-8,10H,1-4,9H2
InChIKeyBJJABNNKDGGUHY-UHFFFAOYSA-N
MW304.31 g/mol
LogP5.32
Rot. Bonds3

About 2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene

2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene (PubChem CID 134473145) has the molecular formula C18H15F3O and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene
PubChem CID134473145
Molecular FormulaC18H15F3O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene
SMILESFc1ccc2c(c1F)-c1c-2ccc(OCC2CCCC2)c1F
InChIInChI=1S/C18H15F3O/c19-13-7-5-11-12-6-8-14(22-9-10-3-1-2-4-10)18(21)16(12)15(11)17(13)20/h5-8,10H,1-4,9H2
InChIKeyBJJABNNKDGGUHY-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.31
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene
CID 134473076
1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282322
2-(cyclopentylmethoxy)-7-ethoxy-1,8-difluorophenanthrene
CID 177267198
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene
CID 134465092
4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene
CID 107691255
3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol
CID 134473056
2-(cyclohexylmethoxy)-3,4-difluoroaniline
CID 62531491
[2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine
CID 107532694
1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene
CID 159362003
2-[4-(cyclopentylmethoxy)-2,3-difluorophenyl]-5-iodo-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 171813019
1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene
CID 158334858

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene?
The IUPAC name of 2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene (CID 134473145) is 2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene.
What is the SMILES notation for 2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene?
The canonical SMILES for 2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene is Fc1ccc2c(c1F)-c1c-2ccc(OCC2CCCC2)c1F.
What is the InChIKey of 2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene?
The InChIKey is BJJABNNKDGGUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O/c19-13-7-5-11-12-6-8-14(22-9-10-3-1-2-4-10)18(21)16(12)15(11)17(13)20/h5-8,10H,1-4,9H2.
What are the key properties of 2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene?
2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene has a molecular weight of 304.31 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene is sourced from PubChem (CID 134473145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).