[2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane

C16H22F2IO3P — CID 134492863

IUPAC[2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane
SMILESFC(F)(CCCOC1CC(OCc2ccccc2)C1)COPI
InChIInChI=1S/C16H22F2IO3P/c17-16(18,12-22-23-19)7-4-8-20-14-9-15(10-14)21-11-13-5-2-1-3-6-13/h1-3,5-6,14-15,23H,4,7-12H2
InChIKeySHHANSXSGPXHDX-UHFFFAOYSA-N
MW458.22 g/mol
LogP5.13
Rot. Bonds11

About [2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane

[2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane (PubChem CID 134492863) has the molecular formula C16H22F2IO3P and a molecular weight of 458.22 g/mol. Its IUPAC name is [2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane.

Molecular Properties

Compound Name[2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane
PubChem CID134492863
Molecular FormulaC16H22F2IO3P
Molecular Weight458.22 g/mol
Exact Mass458.03
IUPAC Name[2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane
SMILESFC(F)(CCCOC1CC(OCc2ccccc2)C1)COPI
InChIInChI=1S/C16H22F2IO3P/c17-16(18,12-22-23-19)7-4-8-20-14-9-15(10-14)21-11-13-5-2-1-3-6-13/h1-3,5-6,14-15,23H,4,7-12H2
InChIKeySHHANSXSGPXHDX-UHFFFAOYSA-N
XLogP5.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.22
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(4,4-difluorohexoxy)cyclobutyl]oxymethylbenzene
CID 134489222
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol
CID 67957108
(1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 91005929
(1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine
CID 70586172
[(3R,4R)-3,4-diazidocyclopentyl]oxymethylbenzene
CID 58822158
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
3-[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxypropan-1-ol
CID 123313104
(3-phenylmethoxycyclobutyl) ethanesulfonate
CID 87670709

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane?
The IUPAC name of [2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane (CID 134492863) is [2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane.
What is the SMILES notation for [2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane?
The canonical SMILES for [2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane is FC(F)(CCCOC1CC(OCc2ccccc2)C1)COPI.
What is the InChIKey of [2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane?
The InChIKey is SHHANSXSGPXHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2IO3P/c17-16(18,12-22-23-19)7-4-8-20-14-9-15(10-14)21-11-13-5-2-1-3-6-13/h1-3,5-6,14-15,23H,4,7-12H2.
What are the key properties of [2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane?
[2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane has a molecular weight of 458.22 g/mol, XLogP of 5.13, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-5-(3-phenylmethoxycyclobutyl)oxypentoxy]-iodophosphane is sourced from PubChem (CID 134492863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).