[(3R)-3-fluoro-3-iodopropoxy]methylbenzene

C10H12FIO — CID 125475539

IUPAC[(3R)-3-fluoro-3-iodopropoxy]methylbenzene
SMILESF[C@H](I)CCOCc1ccccc1
InChIInChI=1S/C10H12FIO/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1
InChIKeyNAURVPQVTRDAHA-SNVBAGLBSA-N
MW294.11 g/mol
LogP3.32
Rot. Bonds5

About [(3R)-3-fluoro-3-iodopropoxy]methylbenzene

[(3R)-3-fluoro-3-iodopropoxy]methylbenzene (PubChem CID 125475539) has the molecular formula C10H12FIO and a molecular weight of 294.11 g/mol. Its IUPAC name is [(3R)-3-fluoro-3-iodopropoxy]methylbenzene.

Molecular Properties

Compound Name[(3R)-3-fluoro-3-iodopropoxy]methylbenzene
PubChem CID125475539
Molecular FormulaC10H12FIO
Molecular Weight294.11 g/mol
Exact Mass293.99
IUPAC Name[(3R)-3-fluoro-3-iodopropoxy]methylbenzene
SMILESF[C@H](I)CCOCc1ccccc1
InChIInChI=1S/C10H12FIO/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1
InChIKeyNAURVPQVTRDAHA-SNVBAGLBSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-fluoro-4-phenylmethoxybutan-1-ol
CID 129405204
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
1-fluoro-4-phenylmethoxybutan-2-amine
CID 172858311
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
2-(difluoromethoxy)ethoxymethylbenzene
CID 155234334
(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
1-fluoro-5-phenylmethoxypentan-2-ol
CID 14003295
(4R)-1-phenylmethoxyhexane-3,4-diol
CID 165032455
2-hydroxy-4-phenylmethoxybutanal
CID 130035859
2-iodoethoxymethylbenzene
CID 10355314
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-fluoro-3-iodopropoxy]methylbenzene?
The IUPAC name of [(3R)-3-fluoro-3-iodopropoxy]methylbenzene (CID 125475539) is [(3R)-3-fluoro-3-iodopropoxy]methylbenzene.
What is the SMILES notation for [(3R)-3-fluoro-3-iodopropoxy]methylbenzene?
The canonical SMILES for [(3R)-3-fluoro-3-iodopropoxy]methylbenzene is F[C@H](I)CCOCc1ccccc1.
What is the InChIKey of [(3R)-3-fluoro-3-iodopropoxy]methylbenzene?
The InChIKey is NAURVPQVTRDAHA-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12FIO/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1.
What are the key properties of [(3R)-3-fluoro-3-iodopropoxy]methylbenzene?
[(3R)-3-fluoro-3-iodopropoxy]methylbenzene has a molecular weight of 294.11 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-fluoro-3-iodopropoxy]methylbenzene is sourced from PubChem (CID 125475539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).