1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene

C10H10F3IO — CID 114774714

IUPAC1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene
SMILESFc1cccc(C(CI)OCC(F)F)c1
InChIInChI=1S/C10H10F3IO/c11-8-3-1-2-7(4-8)9(5-14)15-6-10(12)13/h1-4,9-10H,5-6H2
InChIKeyQPCZRNSQODUBLT-UHFFFAOYSA-N
MW330.09 g/mol
LogP3.58
Rot. Bonds5

About 1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene

1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene (PubChem CID 114774714) has the molecular formula C10H10F3IO and a molecular weight of 330.09 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene
PubChem CID114774714
Molecular FormulaC10H10F3IO
Molecular Weight330.09 g/mol
Exact Mass329.97
IUPAC Name1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene
SMILESFc1cccc(C(CI)OCC(F)F)c1
InChIInChI=1S/C10H10F3IO/c11-8-3-1-2-7(4-8)9(5-14)15-6-10(12)13/h1-4,9-10H,5-6H2
InChIKeyQPCZRNSQODUBLT-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.09
LogP ≤ 53.58
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-bromo-3-[1-(2,2-difluoroethoxy)-2-iodoethyl]benzene
CID 114774748
2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine
CID 107523915
3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol
CID 103147844
1-fluoro-3-[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
CID 114774271
(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131500919
(1R)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131566007
2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 82006484
[3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine
CID 103151788
1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105078293
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 82006979
N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine
CID 82006736

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene?
The IUPAC name of 1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene (CID 114774714) is 1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene.
What is the SMILES notation for 1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene?
The canonical SMILES for 1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene is Fc1cccc(C(CI)OCC(F)F)c1.
What is the InChIKey of 1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene?
The InChIKey is QPCZRNSQODUBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3IO/c11-8-3-1-2-7(4-8)9(5-14)15-6-10(12)13/h1-4,9-10H,5-6H2.
What are the key properties of 1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene?
1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene has a molecular weight of 330.09 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethoxy)-2-iodoethyl]-3-fluorobenzene is sourced from PubChem (CID 114774714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).