4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene

C14H8ClF5O2 — CID 118828304

IUPAC4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)Oc1cc(Cl)ccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H8ClF5O2/c15-9-4-5-11(12(7-9)21-13(16)17)8-2-1-3-10(6-8)22-14(18,19)20/h1-7,13H
InChIKeyXCZPWMBDPXDRCO-UHFFFAOYSA-N
MW338.66 g/mol
LogP5.51
Rot. Bonds4

About 4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene

4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene (PubChem CID 118828304) has the molecular formula C14H8ClF5O2 and a molecular weight of 338.66 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene
PubChem CID118828304
Molecular FormulaC14H8ClF5O2
Molecular Weight338.66 g/mol
Exact Mass338.01
IUPAC Name4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)Oc1cc(Cl)ccc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H8ClF5O2/c15-9-4-5-11(12(7-9)21-13(16)17)8-2-1-3-10(6-8)22-14(18,19)20/h1-7,13H
InChIKeyXCZPWMBDPXDRCO-UHFFFAOYSA-N
XLogP5.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118842889
5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide
CID 134627963
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
CID 134622401
2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 134619600
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
4-tert-butyl-1-fluoro-2-[3-(trifluoromethoxy)phenyl]benzene
CID 58049422
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
CID 79018315
2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine
CID 118814623

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene (CID 118828304) is 4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene is FC(F)Oc1cc(Cl)ccc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene?
The InChIKey is XCZPWMBDPXDRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF5O2/c15-9-4-5-11(12(7-9)21-13(16)17)8-2-1-3-10(6-8)22-14(18,19)20/h1-7,13H.
What are the key properties of 4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene?
4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene has a molecular weight of 338.66 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 118828304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).