1-butoxy-2,3,4,5,6-pentafluorobenzene

C10H9F5O — CID 14775650

IUPAC1-butoxy-2,3,4,5,6-pentafluorobenzene
SMILESCCCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H9F5O/c1-2-3-4-16-10-8(14)6(12)5(11)7(13)9(10)15/h2-4H2,1H3
InChIKeySEWOSXBRSXXVHE-UHFFFAOYSA-N
MW240.17 g/mol
LogP3.56
Rot. Bonds4

About 1-butoxy-2,3,4,5,6-pentafluorobenzene

1-butoxy-2,3,4,5,6-pentafluorobenzene (PubChem CID 14775650) has the molecular formula C10H9F5O and a molecular weight of 240.17 g/mol. Its IUPAC name is 1-butoxy-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-butoxy-2,3,4,5,6-pentafluorobenzene
PubChem CID14775650
Molecular FormulaC10H9F5O
Molecular Weight240.17 g/mol
Exact Mass240.06
IUPAC Name1-butoxy-2,3,4,5,6-pentafluorobenzene
SMILESCCCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H9F5O/c1-2-3-4-16-10-8(14)6(12)5(11)7(13)9(10)15/h2-4H2,1H3
InChIKeySEWOSXBRSXXVHE-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-butoxy-2,3,4,5,6-pentafluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenetole
CID 7674
Butyl phenyl ether
CID 14311
Benzene, propoxy-
CID 12155
4-Fluorophenetole
CID 68018
Perfluorophenyl acetate
CID 87968
2-Fluorophenetole
CID 136291
1,4-Dimethoxytetrafluorobenzene
CID 607045
Pentafluoromethoxybenzene
CID 67849
1-Ethoxy-3-fluorobenzene
CID 136301
1-Butoxy-2,3-Difluorobenzene
CID 2782939
Pentafluoro[1,2,2-trifluoro-2-[(trifluorovinyl)oxy]-1-(trifluoromethyl)ethoxy]benzene
CID 90525
1-Ethoxy-2,3-Difluorobenzene
CID 2782928

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-butoxy-2,3,4,5,6-pentafluorobenzene (CID 14775650) is 1-butoxy-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-butoxy-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-butoxy-2,3,4,5,6-pentafluorobenzene is CCCCOc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-butoxy-2,3,4,5,6-pentafluorobenzene?
The InChIKey is SEWOSXBRSXXVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5O/c1-2-3-4-16-10-8(14)6(12)5(11)7(13)9(10)15/h2-4H2,1H3.
What are the key properties of 1-butoxy-2,3,4,5,6-pentafluorobenzene?
1-butoxy-2,3,4,5,6-pentafluorobenzene has a molecular weight of 240.17 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 14775650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).