3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde

C10H10FIO2 — CID 164892812

IUPAC3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1c(F)cc(I)cc1C=O
InChIInChI=1S/C10H10FIO2/c1-6(2)14-10-7(5-13)3-8(12)4-9(10)11/h3-6H,1-2H3
InChIKeyPIBANXLSJFOVKQ-UHFFFAOYSA-N
MW308.09 g/mol
LogP3.03
Rot. Bonds3

About 3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde

3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde (PubChem CID 164892812) has the molecular formula C10H10FIO2 and a molecular weight of 308.09 g/mol. Its IUPAC name is 3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde
PubChem CID164892812
Molecular FormulaC10H10FIO2
Molecular Weight308.09 g/mol
Exact Mass307.97
IUPAC Name3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1c(F)cc(I)cc1C=O
InChIInChI=1S/C10H10FIO2/c1-6(2)14-10-7(5-13)3-8(12)4-9(10)11/h3-6H,1-2H3
InChIKeyPIBANXLSJFOVKQ-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde
CID 83901418
3-fluoro-4-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde
CID 163198159
2-fluoro-4-propan-2-yloxybenzaldehyde;methane
CID 166468133
2-fluoro-5-iodo-3-methylbenzaldehyde
CID 164891132
3-formyl-5-iodo-2-methoxybenzoyl chloride
CID 171015865
1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone
CID 164895831
2,3-diethoxy-5-iodobenzaldehyde
CID 100582153
ethyl 4-formyl-2,6-dimethyl-3-propan-2-yloxybenzoate
CID 87118168
3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride
CID 115704040
2-propan-2-yloxy-5-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650735
2-butoxy-5-iodo-3-methylbenzaldehyde
CID 100581502
2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde
CID 131378836

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde?
The IUPAC name of 3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde (CID 164892812) is 3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde.
What is the SMILES notation for 3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde?
The canonical SMILES for 3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde is CC(C)Oc1c(F)cc(I)cc1C=O.
What is the InChIKey of 3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde?
The InChIKey is PIBANXLSJFOVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FIO2/c1-6(2)14-10-7(5-13)3-8(12)4-9(10)11/h3-6H,1-2H3.
What are the key properties of 3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde?
3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde has a molecular weight of 308.09 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde is sourced from PubChem (CID 164892812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).