1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene

C11H12ClF2IO — CID 165493406

IUPAC1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene
SMILESCC(F)(F)COC(CI)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClF2IO/c1-11(13,14)7-16-10(6-15)8-3-2-4-9(12)5-8/h2-5,10H,6-7H2,1H3
InChIKeyRVJBQXYPMRXKII-UHFFFAOYSA-N
MW360.57 g/mol
LogP4.49
Rot. Bonds5

About 1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene

1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene (PubChem CID 165493406) has the molecular formula C11H12ClF2IO and a molecular weight of 360.57 g/mol. Its IUPAC name is 1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene
PubChem CID165493406
Molecular FormulaC11H12ClF2IO
Molecular Weight360.57 g/mol
Exact Mass359.96
IUPAC Name1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene
SMILESCC(F)(F)COC(CI)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClF2IO/c1-11(13,14)7-16-10(6-15)8-3-2-4-9(12)5-8/h2-5,10H,6-7H2,1H3
InChIKeyRVJBQXYPMRXKII-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-[1-(3,3-dimethylbutoxy)-2-iodoethyl]benzene
CID 114774490
1-chloro-3-(2-iodo-1-propan-2-yloxyethyl)benzene
CID 114772102
1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene
CID 114773109
1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene
CID 114772826
2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine
CID 84724920
1-chloro-3-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772471
2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]oxane
CID 114772647
1-chloro-3-(1,1,1-trifluoropropan-2-yl)benzene
CID 83381765
3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol
CID 103377250
1-chloro-4-[[2-iodo-1-(3-methoxyphenyl)ethoxy]methyl]benzene
CID 114774472
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine
CID 62108579
2-(3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)acetic acid
CID 18700123

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene?
The IUPAC name of 1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene (CID 165493406) is 1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene.
What is the SMILES notation for 1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene?
The canonical SMILES for 1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene is CC(F)(F)COC(CI)c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene?
The InChIKey is RVJBQXYPMRXKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2IO/c1-11(13,14)7-16-10(6-15)8-3-2-4-9(12)5-8/h2-5,10H,6-7H2,1H3.
What are the key properties of 1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene?
1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene has a molecular weight of 360.57 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene is sourced from PubChem (CID 165493406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).