1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene

C14H4F10O — CID 134628110

IUPAC1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(-c2ccc(OC(F)F)cc2C(F)(F)F)c(F)c1F
InChIInChI=1S/C14H4F10O/c15-8-7(9(16)11(18)12(19)10(8)17)5-2-1-4(25-13(20)21)3-6(5)14(22,23)24/h1-3,13H
InChIKeyKEBVXJWHETUYOZ-UHFFFAOYSA-N
MW378.17 g/mol
LogP5.67
Rot. Bonds3

About 1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene

1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene (PubChem CID 134628110) has the molecular formula C14H4F10O and a molecular weight of 378.17 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene
PubChem CID134628110
Molecular FormulaC14H4F10O
Molecular Weight378.17 g/mol
Exact Mass378.01
IUPAC Name1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(-c2ccc(OC(F)F)cc2C(F)(F)F)c(F)c1F
InChIInChI=1S/C14H4F10O/c15-8-7(9(16)11(18)12(19)10(8)17)5-2-1-4(25-13(20)21)3-6(5)14(22,23)24/h1-3,13H
InChIKeyKEBVXJWHETUYOZ-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.17
LogP ≤ 55.67
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

4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 71669364
2-chloro-1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]propan-1-one
CID 134619683
4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119025174
4-(difluoromethoxy)-2-nitro-1-(trifluoromethyl)benzene
CID 71669510
2-azido-4-(difluoromethoxy)-1-(trifluoromethyl)benzene
CID 150240652
5-[5-(difluoromethoxy)-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169333944
5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene
CID 134638592
5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol
CID 134639057
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene
CID 46311605
1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone
CID 171032223

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene (CID 134628110) is 1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(-c2ccc(OC(F)F)cc2C(F)(F)F)c(F)c1F.
What is the InChIKey of 1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene?
The InChIKey is KEBVXJWHETUYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F10O/c15-8-7(9(16)11(18)12(19)10(8)17)5-2-1-4(25-13(20)21)3-6(5)14(22,23)24/h1-3,13H.
What are the key properties of 1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene?
1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene has a molecular weight of 378.17 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 134628110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).