1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene

C9H3F8IO — CID 134638325

IUPAC1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene
SMILESFC(F)Oc1ccc(I)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H3F8IO/c10-7(11)19-4-2-1-3(18)5(8(12,13)14)6(4)9(15,16)17/h1-2,7H
InChIKeyHWZNPSYLNFYLCS-UHFFFAOYSA-N
MW406.01 g/mol
LogP4.93
Rot. Bonds2

About 1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene

1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene (PubChem CID 134638325) has the molecular formula C9H3F8IO and a molecular weight of 406.01 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene
PubChem CID134638325
Molecular FormulaC9H3F8IO
Molecular Weight406.01 g/mol
Exact Mass405.91
IUPAC Name1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene
SMILESFC(F)Oc1ccc(I)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H3F8IO/c10-7(11)19-4-2-1-3(18)5(8(12,13)14)6(4)9(15,16)17/h1-2,7H
InChIKeyHWZNPSYLNFYLCS-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.01
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 118837715
5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene
CID 171004930
3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171007850
2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene
CID 118819083
1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene
CID 46311607
1-[2-(difluoromethoxy)-4-iodo-3-(trifluoromethyl)phenyl]ethanone
CID 171032142
1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene
CID 135742735
4-iodo-2,3-bis(trifluoromethyl)aniline
CID 119023221
1-[3-(difluoromethoxy)-5-iodo-4-(trifluoromethyl)phenyl]ethanone
CID 171032155
1-chloro-4-(difluoromethoxy)-2-nitro-3-(trifluoromethyl)benzene
CID 171007606
5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene
CID 134638592
1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene
CID 170998457

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene (CID 134638325) is 1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene is FC(F)Oc1ccc(I)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene?
The InChIKey is HWZNPSYLNFYLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F8IO/c10-7(11)19-4-2-1-3(18)5(8(12,13)14)6(4)9(15,16)17/h1-2,7H.
What are the key properties of 1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene?
1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene has a molecular weight of 406.01 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene is sourced from PubChem (CID 134638325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).