8-ethoxy-4,6,6,7-tetrafluoro-3-pentylbenzo[c]chromene

C20H20F4O2 — CID 58687488

IUPAC8-ethoxy-4,6,6,7-tetrafluoro-3-pentylbenzo[c]chromene
SMILESCCCCCc1ccc2c(c1F)OC(F)(F)c1c-2ccc(OCC)c1F
InChIInChI=1S/C20H20F4O2/c1-3-5-6-7-12-8-9-14-13-10-11-15(25-4-2)18(22)16(13)20(23,24)26-19(14)17(12)21/h8-11H,3-7H2,1-2H3
InChIKeyJTPHMYZEINFFSE-UHFFFAOYSA-N
MW368.37 g/mol
LogP6.20
Rot. Bonds6

About 8-ethoxy-4,6,6,7-tetrafluoro-3-pentylbenzo[c]chromene

8-ethoxy-4,6,6,7-tetrafluoro-3-pentylbenzo[c]chromene (PubChem CID 58687488) has the molecular formula C20H20F4O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 8-ethoxy-4,6,6,7-tetrafluoro-3-pentylbenzo[c]chromene.

Molecular Properties

Compound Name8-ethoxy-4,6,6,7-tetrafluoro-3-pentylbenzo[c]chromene
PubChem CID58687488
Molecular FormulaC20H20F4O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name8-ethoxy-4,6,6,7-tetrafluoro-3-pentylbenzo[c]chromene
SMILESCCCCCc1ccc2c(c1F)OC(F)(F)c1c-2ccc(OCC)c1F
InChIInChI=1S/C20H20F4O2/c1-3-5-6-7-12-8-9-14-13-10-11-15(25-4-2)18(22)16(13)20(23,24)26-19(14)17(12)21/h8-11H,3-7H2,1-2H3
InChIKeyJTPHMYZEINFFSE-UHFFFAOYSA-N
XLogP6.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.37
LogP ≤ 56.20
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-[(2,3-difluoro-4-pentylphenyl)methoxy]-1,8,9,9,10,10-hexafluoro-7-propylphenanthrene
CID 88552760
4,6,6-trifluoro-3-hexyl-8-(4-methylphenyl)benzo[c]chromene
CID 141230093
4,6,6-trifluoro-8-(4-methylphenyl)-3-nonylbenzo[c]chromene
CID 141229997
3-butyl-4,6,6-trifluoro-8-(4-pentylphenyl)benzo[c]chromene
CID 141230061
4,6,6-trifluoro-3-nonyl-8-(4-propylphenyl)benzo[c]chromene
CID 141230081
3-decyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene
CID 141494403
1-[4-[(2,3-difluoro-4-pentylphenyl)methoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 58141762
2-decoxy-1,8-difluoro-7-octylphenanthrene
CID 150546120
8-(4-decylcyclohexyl)-4,6,6-trifluoro-3-heptylbenzo[c]chromene
CID 141494415
4,6,6-trifluoro-8-(4-hexylcyclohexyl)-3-pentylbenzo[c]chromene
CID 141494388
1-butoxy-2,3-difluoro-4-(4-methylphenyl)benzene;1-butoxy-2,3-difluoro-4-(4-propylphenyl)benzene;2,3-difluoro-1-(4-methylphenyl)-4-pentylbenzene;2,3-difluoro-1-(4-pentylphenyl)-4-propylbenzene;2,3-difluoro-1-pentyl-4-(4-propylphenyl)benzene;2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene;1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene;1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene
CID 158794675
1-[2-(4-decylcyclohexyl)ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 59874056

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-4,6,6,7-tetrafluoro-3-pentylbenzo[c]chromene?
The IUPAC name of 8-ethoxy-4,6,6,7-tetrafluoro-3-pentylbenzo[c]chromene (CID 58687488) is 8-ethoxy-4,6,6,7-tetrafluoro-3-pentylbenzo[c]chromene.
What is the SMILES notation for 8-ethoxy-4,6,6,7-tetrafluoro-3-pentylbenzo[c]chromene?
The canonical SMILES for 8-ethoxy-4,6,6,7-tetrafluoro-3-pentylbenzo[c]chromene is CCCCCc1ccc2c(c1F)OC(F)(F)c1c-2ccc(OCC)c1F.
What is the InChIKey of 8-ethoxy-4,6,6,7-tetrafluoro-3-pentylbenzo[c]chromene?
The InChIKey is JTPHMYZEINFFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4O2/c1-3-5-6-7-12-8-9-14-13-10-11-15(25-4-2)18(22)16(13)20(23,24)26-19(14)17(12)21/h8-11H,3-7H2,1-2H3.
What are the key properties of 8-ethoxy-4,6,6,7-tetrafluoro-3-pentylbenzo[c]chromene?
8-ethoxy-4,6,6,7-tetrafluoro-3-pentylbenzo[c]chromene has a molecular weight of 368.37 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-4,6,6,7-tetrafluoro-3-pentylbenzo[c]chromene is sourced from PubChem (CID 58687488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).