[2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane

C7H13F2O2P — CID 163554978

IUPAC[2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane
SMILESCC(F)C(F)(P)COCC1CO1
InChIInChI=1S/C7H13F2O2P/c1-5(8)7(9,12)4-10-2-6-3-11-6/h5-6H,2-4,12H2,1H3
InChIKeyFMGRMWVRFLFCOB-UHFFFAOYSA-N
MW198.15 g/mol
LogP1.30
Rot. Bonds5

About [2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane

[2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane (PubChem CID 163554978) has the molecular formula C7H13F2O2P and a molecular weight of 198.15 g/mol. Its IUPAC name is [2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane.

Molecular Properties

Compound Name[2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane
PubChem CID163554978
Molecular FormulaC7H13F2O2P
Molecular Weight198.15 g/mol
Exact Mass198.06
IUPAC Name[2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane
SMILESCC(F)C(F)(P)COCC1CO1
InChIInChI=1S/C7H13F2O2P/c1-5(8)7(9,12)4-10-2-6-3-11-6/h5-6H,2-4,12H2,1H3
InChIKeyFMGRMWVRFLFCOB-UHFFFAOYSA-N
XLogP1.30
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane
CID 97291003
2-(1,1,2-trifluoropropoxymethyl)oxirane
CID 87368360
(2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane
CID 97031068
2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane
CID 87149514
2-(2,2,3-trifluorobut-3-enoxymethyl)oxirane
CID 23546504
1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175116625
1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
CID 139989474
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-(methoxymethylperoxymethoxymethyl)oxirane
CID 59281856
2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]methyl]oxirane
CID 88898601
2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488
2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
CID 139989576

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane?
The IUPAC name of [2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane (CID 163554978) is [2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane.
What is the SMILES notation for [2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane?
The canonical SMILES for [2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane is CC(F)C(F)(P)COCC1CO1.
What is the InChIKey of [2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane?
The InChIKey is FMGRMWVRFLFCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2O2P/c1-5(8)7(9,12)4-10-2-6-3-11-6/h5-6H,2-4,12H2,1H3.
What are the key properties of [2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane?
[2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane has a molecular weight of 198.15 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-1-(oxiran-2-ylmethoxy)butan-2-yl]phosphane is sourced from PubChem (CID 163554978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).