2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene

C19H20F2O2 — CID 12067450

IUPAC2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene
SMILESCCCCOc1ccc2c(c1F)Cc1c-2ccc(OCC)c1F
InChIInChI=1S/C19H20F2O2/c1-3-5-10-23-17-9-7-13-12-6-8-16(22-4-2)18(20)14(12)11-15(13)19(17)21/h6-9H,3-5,10-11H2,1-2H3
InChIKeyHBKWPMMGADPDKB-UHFFFAOYSA-N
MW318.36 g/mol
LogP5.11
Rot. Bonds6

About 2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene

2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene (PubChem CID 12067450) has the molecular formula C19H20F2O2 and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene.

Molecular Properties

Compound Name2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene
PubChem CID12067450
Molecular FormulaC19H20F2O2
Molecular Weight318.36 g/mol
Exact Mass318.14
IUPAC Name2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene
SMILESCCCCOc1ccc2c(c1F)Cc1c-2ccc(OCC)c1F
InChIInChI=1S/C19H20F2O2/c1-3-5-10-23-17-9-7-13-12-6-8-16(22-4-2)18(20)14(12)11-15(13)19(17)21/h6-9H,3-5,10-11H2,1-2H3
InChIKeyHBKWPMMGADPDKB-UHFFFAOYSA-N
XLogP5.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.36
LogP ≤ 55.11
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-butoxy-1,8-difluoro-7-octoxy-9,10-dihydrophenanthrene
CID 21267281
2-butoxy-7-decoxy-1,8-difluoro-9,10-dihydrophenanthrene
CID 21267454
3-butoxy-6-(4-ethoxy-2,3-difluorophenyl)-2-fluorophenol
CID 148736390
2-decoxy-1,8-difluoro-7-hexoxy-9,10-dihydrophenanthrene
CID 21267463
2-decoxy-1,8-difluoro-7-nonoxy-9,10-dihydrophenanthrene
CID 21267095
1,8-difluoro-2-heptoxy-7-pentoxy-9,10-dihydrophenanthrene
CID 21267371
1-butoxy-2,3-difluoro-4-(4-fluorobutoxy)benzene
CID 153282559
1-butoxy-4-[4-(2,3-difluoro-4-octoxyphenyl)cyclohexa-1,4-dien-1-yl]-2,3-difluorobenzene
CID 141293741
1-butoxy-2,3-difluoro-4-methoxybenzene
CID 118933366
1-butoxy-2,3,4-trifluorobenzene
CID 53441447
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-propoxybenzene
CID 125478760

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene?
The IUPAC name of 2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene (CID 12067450) is 2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene.
What is the SMILES notation for 2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene?
The canonical SMILES for 2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene is CCCCOc1ccc2c(c1F)Cc1c-2ccc(OCC)c1F.
What is the InChIKey of 2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene?
The InChIKey is HBKWPMMGADPDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O2/c1-3-5-10-23-17-9-7-13-12-6-8-16(22-4-2)18(20)14(12)11-15(13)19(17)21/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of 2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene?
2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene has a molecular weight of 318.36 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-7-ethoxy-1,8-difluoro-9H-fluorene is sourced from PubChem (CID 12067450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).