[3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene

C17H24F2O2 — CID 134489222

IUPAC[3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene
SMILESCCC(F)(F)CCCOC1CC(OCc2ccccc2)C1
InChIInChI=1S/C17H24F2O2/c1-2-17(18,19)9-6-10-20-15-11-16(12-15)21-13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3
InChIKeyANLMMZKTBHRBCX-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.58
Rot. Bonds9

About [3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene

[3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene (PubChem CID 134489222) has the molecular formula C17H24F2O2 and a molecular weight of 298.37 g/mol. Its IUPAC name is [3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene.

Molecular Properties

Compound Name[3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene
PubChem CID134489222
Molecular FormulaC17H24F2O2
Molecular Weight298.37 g/mol
Exact Mass298.17
IUPAC Name[3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene
SMILESCCC(F)(F)CCCOC1CC(OCc2ccccc2)C1
InChIInChI=1S/C17H24F2O2/c1-2-17(18,19)9-6-10-20-15-11-16(12-15)21-13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3
InChIKeyANLMMZKTBHRBCX-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane
CID 134492863
(3-phenylmethoxycyclobutyl) ethanesulfonate
CID 87670709
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
5-methyl-3-phenylmethoxyazepane
CID 123477831
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol
CID 67957108
(4-propylcyclohexyl)oxymethylbenzene
CID 147199890
2,2-difluorobutylbenzene
CID 12695736
(1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine
CID 70586172
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
1-methyl-4-(3-phenylmethoxycyclobutyl)oxysulfanylbenzene
CID 163256159

Frequently Asked Questions

What is the IUPAC name of [3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene?
The IUPAC name of [3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene (CID 134489222) is [3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene.
What is the SMILES notation for [3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene?
The canonical SMILES for [3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene is CCC(F)(F)CCCOC1CC(OCc2ccccc2)C1.
What is the InChIKey of [3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene?
The InChIKey is ANLMMZKTBHRBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O2/c1-2-17(18,19)9-6-10-20-15-11-16(12-15)21-13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3.
What are the key properties of [3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene?
[3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene has a molecular weight of 298.37 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene is sourced from PubChem (CID 134489222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).