1,2,3,5-tetrafluoro-4-phenylmethoxybenzene

C13H8F4O — CID 167523745

IUPAC1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
SMILESFc1cc(F)c(OCc2ccccc2)c(F)c1F
InChIInChI=1S/C13H8F4O/c14-9-6-10(15)13(12(17)11(9)16)18-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyRJFSWMDRFRUESJ-UHFFFAOYSA-N
MW256.20 g/mol
LogP3.82
Rot. Bonds3

About 1,2,3,5-tetrafluoro-4-phenylmethoxybenzene

1,2,3,5-tetrafluoro-4-phenylmethoxybenzene (PubChem CID 167523745) has the molecular formula C13H8F4O and a molecular weight of 256.20 g/mol. Its IUPAC name is 1,2,3,5-tetrafluoro-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
PubChem CID167523745
Molecular FormulaC13H8F4O
Molecular Weight256.20 g/mol
Exact Mass256.05
IUPAC Name1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
SMILESFc1cc(F)c(OCc2ccccc2)c(F)c1F
InChIInChI=1S/C13H8F4O/c14-9-6-10(15)13(12(17)11(9)16)18-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyRJFSWMDRFRUESJ-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 53.82
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'}

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Related Compounds

2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79888121
3,5-difluoro-4-phenylmethoxybenzonitrile
CID 57445722
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene
CID 112769771
5,7-difluoro-6-phenylmethoxy-1H-indazole
CID 163233496
3,4-difluoro-2-phenylmethoxyaniline
CID 62532181
2,4-difluoro-3-phenylmethoxybenzaldehyde
CID 74891943
ethyl 3,5-difluoro-2-iodo-4-phenylmethoxybenzoate
CID 137378527
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
1,5-difluoro-3-nitro-2-phenylmethoxybenzene
CID 68842689

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrafluoro-4-phenylmethoxybenzene?
The IUPAC name of 1,2,3,5-tetrafluoro-4-phenylmethoxybenzene (CID 167523745) is 1,2,3,5-tetrafluoro-4-phenylmethoxybenzene.
What is the SMILES notation for 1,2,3,5-tetrafluoro-4-phenylmethoxybenzene?
The canonical SMILES for 1,2,3,5-tetrafluoro-4-phenylmethoxybenzene is Fc1cc(F)c(OCc2ccccc2)c(F)c1F.
What is the InChIKey of 1,2,3,5-tetrafluoro-4-phenylmethoxybenzene?
The InChIKey is RJFSWMDRFRUESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4O/c14-9-6-10(15)13(12(17)11(9)16)18-7-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 1,2,3,5-tetrafluoro-4-phenylmethoxybenzene?
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene has a molecular weight of 256.20 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrafluoro-4-phenylmethoxybenzene is sourced from PubChem (CID 167523745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).