5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene

C8H3ClF5IO — CID 171004930

IUPAC5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene
SMILESFC(F)Oc1cc(Cl)cc(I)c1C(F)(F)F
InChIInChI=1S/C8H3ClF5IO/c9-3-1-4(15)6(8(12,13)14)5(2-3)16-7(10)11/h1-2,7H
InChIKeyNCKSVPNZXGURJY-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.56
Rot. Bonds2

About 5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene

5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene (PubChem CID 171004930) has the molecular formula C8H3ClF5IO and a molecular weight of 372.46 g/mol. Its IUPAC name is 5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene
PubChem CID171004930
Molecular FormulaC8H3ClF5IO
Molecular Weight372.46 g/mol
Exact Mass371.88
IUPAC Name5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene
SMILESFC(F)Oc1cc(Cl)cc(I)c1C(F)(F)F
InChIInChI=1S/C8H3ClF5IO/c9-3-1-4(15)6(8(12,13)14)5(2-3)16-7(10)11/h1-2,7H
InChIKeyNCKSVPNZXGURJY-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.56
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-[3-(difluoromethoxy)-5-iodo-4-(trifluoromethyl)phenyl]ethanone
CID 171032155
1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene
CID 171003163
1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene
CID 134638325
5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene
CID 134638592
[5-chloro-3-iodo-2-(trifluoromethyl)phenyl]methanamine
CID 171020933
3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171007850
1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene
CID 171004612
1-(difluoromethoxy)-3-methoxy-2-(trifluoromethyl)benzene
CID 46311607
2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene
CID 118995717
6-chloro-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine
CID 130073209
4-chloro-2-(difluoromethoxy)aniline
CID 19439738
5-chloro-2-(difluoromethoxy)benzenethiol
CID 130775302

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene?
The IUPAC name of 5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene (CID 171004930) is 5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene.
What is the SMILES notation for 5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene?
The canonical SMILES for 5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene is FC(F)Oc1cc(Cl)cc(I)c1C(F)(F)F.
What is the InChIKey of 5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene?
The InChIKey is NCKSVPNZXGURJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF5IO/c9-3-1-4(15)6(8(12,13)14)5(2-3)16-7(10)11/h1-2,7H.
What are the key properties of 5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene?
5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene has a molecular weight of 372.46 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)benzene is sourced from PubChem (CID 171004930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).