2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene

C10H10FIO — CID 131315534

IUPAC2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene
SMILESFc1ccc(I)cc1OCC1CC1
InChIInChI=1S/C10H10FIO/c11-9-4-3-8(12)5-10(9)13-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyMMARBKDZXWGJOW-UHFFFAOYSA-N
MW292.09 g/mol
LogP3.22
Rot. Bonds3

About 2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene

2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene (PubChem CID 131315534) has the molecular formula C10H10FIO and a molecular weight of 292.09 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene
PubChem CID131315534
Molecular FormulaC10H10FIO
Molecular Weight292.09 g/mol
Exact Mass291.98
IUPAC Name2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene
SMILESFc1ccc(I)cc1OCC1CC1
InChIInChI=1S/C10H10FIO/c11-9-4-3-8(12)5-10(9)13-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyMMARBKDZXWGJOW-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.09
LogP ≤ 53.22
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-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene
CID 58479337
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropan-1-amine
CID 134541422
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine
CID 142360414
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethane-1,2-diol
CID 70910103
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene
CID 135194896
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N,2-dimethylpropan-1-amine
CID 142399901
potassium [3-(cyclobutylmethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 114674983
methyl 2-(cyclopropylmethoxy)-5-iodobenzoate
CID 59193408
4-(cyclopropylmethoxy)-2-(difluoromethoxy)-1-fluorobenzene
CID 141339892
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
1-fluoro-4-iodo-2-methoxybenzene
CID 26598241

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene?
The IUPAC name of 2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene (CID 131315534) is 2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene is Fc1ccc(I)cc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene?
The InChIKey is MMARBKDZXWGJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FIO/c11-9-4-3-8(12)5-10(9)13-6-7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene?
2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene has a molecular weight of 292.09 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene is sourced from PubChem (CID 131315534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).