1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene

C14H18F2O — CID 114276820

IUPAC1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene
SMILESCc1cc(F)c(F)cc1OCCC1CCCC1
InChIInChI=1S/C14H18F2O/c1-10-8-12(15)13(16)9-14(10)17-7-6-11-4-2-3-5-11/h8-9,11H,2-7H2,1H3
InChIKeyRUHYOFQOCFPBFZ-UHFFFAOYSA-N
MW240.29 g/mol
LogP4.23
Rot. Bonds4

About 1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene

1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene (PubChem CID 114276820) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is 1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene.

Molecular Properties

Compound Name1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene
PubChem CID114276820
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene
SMILESCc1cc(F)c(F)cc1OCCC1CCCC1
InChIInChI=1S/C14H18F2O/c1-10-8-12(15)13(16)9-14(10)17-7-6-11-4-2-3-5-11/h8-9,11H,2-7H2,1H3
InChIKeyRUHYOFQOCFPBFZ-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-cyclohexylethoxy)-3-methylaniline
CID 26189992
2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine
CID 106201416
(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol
CID 114191389
3-(2-cyclobutylethoxy)-4-methylbenzaldehyde
CID 106202444
[4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol
CID 114191393
1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene
CID 158334858
N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-(2-cyclohexylethoxy)aniline
CID 54802030
1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene
CID 70806278
1-(2-cyclohexylethoxy)-4-methylnaphthalene
CID 123891413
2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
CID 114191447
1,4-dichloro-2-(2-cyclohexylethoxy)benzene
CID 114193047
tert-butyl 4-(cyclopentylmethoxy)-2-fluoro-5-methylbenzoate
CID 167488791

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene?
The IUPAC name of 1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene (CID 114276820) is 1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene.
What is the SMILES notation for 1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene?
The canonical SMILES for 1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene is Cc1cc(F)c(F)cc1OCCC1CCCC1.
What is the InChIKey of 1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene?
The InChIKey is RUHYOFQOCFPBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c1-10-8-12(15)13(16)9-14(10)17-7-6-11-4-2-3-5-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene?
1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene has a molecular weight of 240.29 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene is sourced from PubChem (CID 114276820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).