5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene

C14H9ClF3IO2 — CID 170171554

IUPAC5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Cl)cc(OCc2ccccc2)c1I
InChIInChI=1S/C14H9ClF3IO2/c15-10-6-11(20-8-9-4-2-1-3-5-9)13(19)12(7-10)21-14(16,17)18/h1-7H,8H2
InChIKeyMKIBHTLLLKPGKE-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.42
Rot. Bonds4

About 5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene

5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene (PubChem CID 170171554) has the molecular formula C14H9ClF3IO2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene
PubChem CID170171554
Molecular FormulaC14H9ClF3IO2
Molecular Weight428.58 g/mol
Exact Mass427.93
IUPAC Name5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(Cl)cc(OCc2ccccc2)c1I
InChIInChI=1S/C14H9ClF3IO2/c15-10-6-11(20-8-9-4-2-1-3-5-9)13(19)12(7-10)21-14(16,17)18/h1-7H,8H2
InChIKeyMKIBHTLLLKPGKE-UHFFFAOYSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene
CID 172676595
4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene
CID 155293536
4-iodo-5-phenylmethoxybenzene-1,3-diol
CID 71339742
1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64763975
2-(bromomethyl)-1,5-dichloro-3-phenylmethoxybenzene
CID 14225535
4-ethynyl-2-phenylmethoxy-1-[2-(trifluoromethoxy)phenyl]benzene
CID 176508519
(1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate
CID 175264172
6-chloro-4-phenylmethoxy-1H-indole
CID 170993763
1-bromo-3-chloro-2-iodo-4-phenylmethoxybenzene
CID 146035383
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767
3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde
CID 22636947
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene?
The IUPAC name of 5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene (CID 170171554) is 5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene?
The canonical SMILES for 5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene is FC(F)(F)Oc1cc(Cl)cc(OCc2ccccc2)c1I.
What is the InChIKey of 5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene?
The InChIKey is MKIBHTLLLKPGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3IO2/c15-10-6-11(20-8-9-4-2-1-3-5-9)13(19)12(7-10)21-14(16,17)18/h1-7H,8H2.
What are the key properties of 5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene?
5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene has a molecular weight of 428.58 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 170171554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).