1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran

C27H32F4O3 — CID 140909283

IUPAC1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran
SMILESCCCCCOc1cc2oc3cc(OCC4CCC(CCC)CC4)c(F)c(F)c3c2c(F)c1F
InChIInChI=1S/C27H32F4O3/c1-3-5-6-12-32-20-13-18-22(26(30)24(20)28)23-19(34-18)14-21(25(29)27(23)31)33-15-17-10-8-16(7-4-2)9-11-17/h13-14,16-17H,3-12,15H2,1-2H3
InChIKeyGUTLMELLDWQHDG-UHFFFAOYSA-N
MW480.54 g/mol
LogP8.70
Rot. Bonds10

About 1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran

1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran (PubChem CID 140909283) has the molecular formula C27H32F4O3 and a molecular weight of 480.54 g/mol. Its IUPAC name is 1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran.

Molecular Properties

Compound Name1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran
PubChem CID140909283
Molecular FormulaC27H32F4O3
Molecular Weight480.54 g/mol
Exact Mass480.23
IUPAC Name1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran
SMILESCCCCCOc1cc2oc3cc(OCC4CCC(CCC)CC4)c(F)c(F)c3c2c(F)c1F
InChIInChI=1S/C27H32F4O3/c1-3-5-6-12-32-20-13-18-22(26(30)24(20)28)23-19(34-18)14-21(25(29)27(23)31)33-15-17-10-8-16(7-4-2)9-11-17/h13-14,16-17H,3-12,15H2,1-2H3
InChIKeyGUTLMELLDWQHDG-UHFFFAOYSA-N
XLogP8.70
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.54
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran with MolForge

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Related Compounds

2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
7-butoxy-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]-8-(trifluoromethyl)naphthalene
CID 59356976
2-[4-[(4-butoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967423
3-ethoxy-1,2,8-trifluoro-7-pentoxydibenzofuran
CID 140909238
1-butoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-butoxy-4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorobenzene;2,3-difluoro-1-methoxy-4-[(4-propylcyclohexyl)methoxy]benzene;2,3-difluoro-1-pentoxy-4-[(4-propylcyclohexyl)methoxy]benzene;2,3-difluoro-1-propoxy-4-[(4-propylcyclohexyl)methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-ethoxy-4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorobenzene;1-[(4-ethylcyclohexyl)methoxy]-2,3-difluoro-4-pentoxybenzene;1-[(4-ethylcyclohexyl)methoxy]-2,3-difluoro-4-propoxybenzene;molecular hydrogen
CID 159620361
3-ethoxy-1,2,8,9-tetrafluoro-7-(4-pentylcyclohexen-1-yl)dibenzofuran
CID 140909255
5-bromo-1,2-difluoro-3-[(4-propylcyclohexyl)methoxy]benzene
CID 134464969
2-[(4-butoxy-2,3-difluorophenoxy)methyl]-6-[4-(4-propylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967334
4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde
CID 102522412
3-(4-butylphenyl)-1,2,8,9-tetrafluoro-7-pentoxydibenzofuran
CID 140909181
1,2,4-trifluoro-5-[(4-pentylcyclohexyl)methoxy]benzene
CID 15250368
7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 102471063

Frequently Asked Questions

What is the IUPAC name of 1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran?
The IUPAC name of 1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran (CID 140909283) is 1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran.
What is the SMILES notation for 1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran?
The canonical SMILES for 1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran is CCCCCOc1cc2oc3cc(OCC4CCC(CCC)CC4)c(F)c(F)c3c2c(F)c1F.
What is the InChIKey of 1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran?
The InChIKey is GUTLMELLDWQHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F4O3/c1-3-5-6-12-32-20-13-18-22(26(30)24(20)28)23-19(34-18)14-21(25(29)27(23)31)33-15-17-10-8-16(7-4-2)9-11-17/h13-14,16-17H,3-12,15H2,1-2H3.
What are the key properties of 1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran?
1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran has a molecular weight of 480.54 g/mol, XLogP of 8.70, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran is sourced from PubChem (CID 140909283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).