1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene

C10HF13O — CID 89285940

IUPAC1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene
SMILESFc1c(F)c(F)c(OC(F)(F)C(C(F)(F)F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C10HF13O/c11-1-2(12)4(14)6(5(15)3(1)13)24-10(22,23)7(8(16,17)18)9(19,20)21/h7H
InChIKeySNLDPKBZPZJPAP-UHFFFAOYSA-N
MW384.09 g/mol
LogP5.09
Rot. Bonds3

About 1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene

1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene (PubChem CID 89285940) has the molecular formula C10HF13O and a molecular weight of 384.09 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene
PubChem CID89285940
Molecular FormulaC10HF13O
Molecular Weight384.09 g/mol
Exact Mass383.98
IUPAC Name1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene
SMILESFc1c(F)c(F)c(OC(F)(F)C(C(F)(F)F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C10HF13O/c11-1-2(12)4(14)6(5(15)3(1)13)24-10(22,23)7(8(16,17)18)9(19,20)21/h7H
InChIKeySNLDPKBZPZJPAP-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.09
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene 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

1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine
CID 175991056
1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene
CID 22625262
1,2,3,4,5-pentafluoro-6-(3-methylpentan-3-yloxy)benzene
CID 126481065
1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene
CID 75365424
2-methyl-2-(2,3,4,5,6-pentafluorophenoxy)propan-1-amine
CID 104523383
1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene
CID 177164134
1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene
CID 174560482
(2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium
CID 132529451
1,2,3,4,5-pentafluoro-6-propan-2-yloxybenzene
CID 13411834
1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene
CID 54011362
2-methyl-3-(2,3,4,5,6-pentafluorophenoxy)propanethioamide
CID 43607868
1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-(4-methylphenyl)benzene
CID 21026826

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene (CID 89285940) is 1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene is Fc1c(F)c(F)c(OC(F)(F)C(C(F)(F)F)C(F)(F)F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene?
The InChIKey is SNLDPKBZPZJPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10HF13O/c11-1-2(12)4(14)6(5(15)3(1)13)24-10(22,23)7(8(16,17)18)9(19,20)21/h7H.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene?
1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene has a molecular weight of 384.09 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene is sourced from PubChem (CID 89285940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).