1,1,2,2,3,3,4-heptafluorobutoxybenzene

C10H7F7O — CID 88595618

IUPAC1,1,2,2,3,3,4-heptafluorobutoxybenzene
SMILESFCC(F)(F)C(F)(F)C(F)(F)Oc1ccccc1
InChIInChI=1S/C10H7F7O/c11-6-8(12,13)9(14,15)10(16,17)18-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyBJBZNMXDQBQGOU-UHFFFAOYSA-N
MW276.15 g/mol
LogP3.90
Rot. Bonds5

About 1,1,2,2,3,3,4-heptafluorobutoxybenzene

1,1,2,2,3,3,4-heptafluorobutoxybenzene (PubChem CID 88595618) has the molecular formula C10H7F7O and a molecular weight of 276.15 g/mol. Its IUPAC name is 1,1,2,2,3,3,4-heptafluorobutoxybenzene.

Molecular Properties

Compound Name1,1,2,2,3,3,4-heptafluorobutoxybenzene
PubChem CID88595618
Molecular FormulaC10H7F7O
Molecular Weight276.15 g/mol
Exact Mass276.04
IUPAC Name1,1,2,2,3,3,4-heptafluorobutoxybenzene
SMILESFCC(F)(F)C(F)(F)C(F)(F)Oc1ccccc1
InChIInChI=1S/C10H7F7O/c11-6-8(12,13)9(14,15)10(16,17)18-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyBJBZNMXDQBQGOU-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene
CID 139606431
trifluoromethoxybenzene
CID 157402708
trifluoromethoxybenzene fluoride
CID 158305019
1,1,2,2,3,3-hexafluoro-3-phenoxypropane-1-sulfonate
CID 59344337
1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene
CID 54236481
1,1,2,2-tetrafluoro-2-phenoxyethanesulfonyl fluoride
CID 154731388
(2-bromo-1,1-difluoroethoxy)benzene
CID 141224533
1,1,1,2,2,3-hexafluoropropane;4-phenoxyaniline
CID 175083375
triphenoxymethylphosphane
CID 18472089
1-bromo-4-(trifluoromethoxy)benzene;trifluoromethoxybenzene
CID 157398822
propan-2-ol;trifluoromethoxybenzene
CID 161029707
isothiocyanic acid;trifluoromethoxybenzene
CID 175112094

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4-heptafluorobutoxybenzene?
The IUPAC name of 1,1,2,2,3,3,4-heptafluorobutoxybenzene (CID 88595618) is 1,1,2,2,3,3,4-heptafluorobutoxybenzene.
What is the SMILES notation for 1,1,2,2,3,3,4-heptafluorobutoxybenzene?
The canonical SMILES for 1,1,2,2,3,3,4-heptafluorobutoxybenzene is FCC(F)(F)C(F)(F)C(F)(F)Oc1ccccc1.
What is the InChIKey of 1,1,2,2,3,3,4-heptafluorobutoxybenzene?
The InChIKey is BJBZNMXDQBQGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F7O/c11-6-8(12,13)9(14,15)10(16,17)18-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 1,1,2,2,3,3,4-heptafluorobutoxybenzene?
1,1,2,2,3,3,4-heptafluorobutoxybenzene has a molecular weight of 276.15 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4-heptafluorobutoxybenzene is sourced from PubChem (CID 88595618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).