2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene

C20H21F3O — CID 69416127

IUPAC2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene
SMILESCCCCOc1cc2c(c(F)c1F)-c1c(ccc(CCC)c1F)C2
InChIInChI=1S/C20H21F3O/c1-3-5-9-24-15-11-14-10-13-8-7-12(6-4-2)18(21)16(13)17(14)20(23)19(15)22/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeySQSXMUSYZBDTSL-UHFFFAOYSA-N
MW334.38 g/mol
LogP5.81
Rot. Bonds6

About 2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene

2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene (PubChem CID 69416127) has the molecular formula C20H21F3O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene.

Molecular Properties

Compound Name2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene
PubChem CID69416127
Molecular FormulaC20H21F3O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene
SMILESCCCCOc1cc2c(c(F)c1F)-c1c(ccc(CCC)c1F)C2
InChIInChI=1S/C20H21F3O/c1-3-5-9-24-15-11-14-10-13-8-7-12(6-4-2)18(21)16(13)17(14)20(23)19(15)22/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeySQSXMUSYZBDTSL-UHFFFAOYSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trifluoro-6-propyl-2-[(4-propylphenyl)methoxy]-9H-xanthene
CID 118891088
5-butyl-2-[difluoro-[(3,4,5,6-tetrafluoro-7-propoxy-9H-fluoren-2-yl)oxy]methyl]-3,4-dihydro-2H-pyran
CID 118359136
3,4-difluoro-2,6-dipropyl-9H-fluorene
CID 69416130
6-[2-(2,3-difluoro-4-propylphenyl)ethyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 118891250
4,9,14,19,24,29,31,33,35,37,39,41-dodecaoctoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18,20,23,25,28,31,33,35-octadecaene
CID 56647445
7-butyl-3,4-difluoro-2-propyl-9H-fluorene;1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-4-ethyl-2,3-difluorobenzene;2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene;1-ethoxy-4-(4-propylphenyl)benzene;1-(4-ethylcyclohexyl)-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene;3,4,5,6-tetrafluoro-2-methyl-7-propoxy-9H-fluorene
CID 161171629
2-fluoro-1-[2-(2-fluoro-3-octoxyphenyl)ethyl]-3-octoxybenzene
CID 139679650
1-butoxy-2,3-difluoro-4-methoxybenzene
CID 118933366
1-butoxy-2,3,4-trifluorobenzene
CID 53441447
1-[2-(2,3-difluoro-4-pentoxyphenyl)ethyl]-4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 122643372
3-(7-butoxy-3,4,5,6-tetrafluoro-9,10-dihydrophenanthren-2-yl)-6-pentyl-3,4-dihydro-2H-pyran
CID 118583554
2-[(4-but-3-enyl-2-fluorophenyl)methoxy]-3,4,5-trifluoro-6-propyl-9H-xanthene
CID 118891252

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene?
The IUPAC name of 2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene (CID 69416127) is 2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene.
What is the SMILES notation for 2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene?
The canonical SMILES for 2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene is CCCCOc1cc2c(c(F)c1F)-c1c(ccc(CCC)c1F)C2.
What is the InChIKey of 2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene?
The InChIKey is SQSXMUSYZBDTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3O/c1-3-5-9-24-15-11-14-10-13-8-7-12(6-4-2)18(21)16(13)17(14)20(23)19(15)22/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene?
2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene has a molecular weight of 334.38 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-3,4,5-trifluoro-6-propyl-9H-fluorene is sourced from PubChem (CID 69416127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).