[2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane

C8H5ClF3IO — CID 162584901

IUPAC[2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane
SMILESC=IOc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H5ClF3IO/c1-13-14-7-3-2-5(4-6(7)9)8(10,11)12/h2-4H,1H2
InChIKeyYMZDMFZVYYUENN-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.06
Rot. Bonds2

About [2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane

[2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane (PubChem CID 162584901) has the molecular formula C8H5ClF3IO and a molecular weight of 336.48 g/mol. Its IUPAC name is [2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane.

Molecular Properties

Compound Name[2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane
PubChem CID162584901
Molecular FormulaC8H5ClF3IO
Molecular Weight336.48 g/mol
Exact Mass335.90
IUPAC Name[2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane
SMILESC=IOc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H5ClF3IO/c1-13-14-7-3-2-5(4-6(7)9)8(10,11)12/h2-4H,1H2
InChIKeyYMZDMFZVYYUENN-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.06
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

2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613
3-[2-chloro-4-(trifluoromethyl)phenoxy]propan-1-amine
CID 83409127
CID 89104061
CID 89104061
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 15574482
1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 20571965
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
2-chloro-1-iodo-4-(trifluoromethyl)benzene
CID 2736612
2-chloro-4-(trifluoromethyl)phenol
CID 2736603

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane?
The IUPAC name of [2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane (CID 162584901) is [2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane.
What is the SMILES notation for [2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane?
The canonical SMILES for [2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane is C=IOc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of [2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane?
The InChIKey is YMZDMFZVYYUENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3IO/c1-13-14-7-3-2-5(4-6(7)9)8(10,11)12/h2-4H,1H2.
What are the key properties of [2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane?
[2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane has a molecular weight of 336.48 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(trifluoromethyl)phenoxy]-methylidene-λ3-iodane is sourced from PubChem (CID 162584901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).