1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran

C18H16F4O2 — CID 140909159

IUPAC1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran
SMILESCCCCCc1cc2oc3cc(OC)c(F)c(F)c3c2c(F)c1F
InChIInChI=1S/C18H16F4O2/c1-3-4-5-6-9-7-10-13(17(21)15(9)19)14-11(24-10)8-12(23-2)16(20)18(14)22/h7-8H,3-6H2,1-2H3
InChIKeyCEFRQEUIKPSVDK-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.88
Rot. Bonds5

About 1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran

1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran (PubChem CID 140909159) has the molecular formula C18H16F4O2 and a molecular weight of 340.32 g/mol. Its IUPAC name is 1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran.

Molecular Properties

Compound Name1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran
PubChem CID140909159
Molecular FormulaC18H16F4O2
Molecular Weight340.32 g/mol
Exact Mass340.11
IUPAC Name1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran
SMILESCCCCCc1cc2oc3cc(OC)c(F)c(F)c3c2c(F)c1F
InChIInChI=1S/C18H16F4O2/c1-3-4-5-6-9-7-10-13(17(21)15(9)19)14-11(24-10)8-12(23-2)16(20)18(14)22/h7-8H,3-6H2,1-2H3
InChIKeyCEFRQEUIKPSVDK-UHFFFAOYSA-N
XLogP5.88
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.88
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

1,2,8,9-tetrafluoro-3-[2-(4-pentylphenyl)ethyl]-7-[2-(4-propylphenyl)ethyl]dibenzofuran
CID 140909243
3-(4-ethoxycyclohexyl)-1,2,8,9-tetrafluoro-7-pentyldibenzofuran
CID 140909303
3-(4-butylphenyl)-1,2,8,9-tetrafluoro-7-pentoxydibenzofuran
CID 140909181
CID 57077754
CID 57077754
3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran
CID 140909238
1-methoxy-2-tetradecylbenzene
CID 69169530
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
3-methoxy-4-pentylpyridine
CID 170214218
1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran
CID 140909283
3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
CID 176899183
1,5-dimethoxy-2-methylsulfanyl-3-pentylbenzene
CID 156744288

Frequently Asked Questions

What is the IUPAC name of 1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran?
The IUPAC name of 1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran (CID 140909159) is 1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran.
What is the SMILES notation for 1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran?
The canonical SMILES for 1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran is CCCCCc1cc2oc3cc(OC)c(F)c(F)c3c2c(F)c1F.
What is the InChIKey of 1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran?
The InChIKey is CEFRQEUIKPSVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4O2/c1-3-4-5-6-9-7-10-13(17(21)15(9)19)14-11(24-10)8-12(23-2)16(20)18(14)22/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran?
1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran has a molecular weight of 340.32 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8,9-tetrafluoro-3-methoxy-7-pentyldibenzofuran is sourced from PubChem (CID 140909159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).