(3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane

C14H24FO5P — CID 91491545

IUPAC(3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane
SMILESCCOP(=O)(OCC)C(F)=C[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C14H24FO5P/c1-3-18-21(16,19-4-2)13(15)10-12-11-17-14(20-12)8-6-5-7-9-14/h10,12H,3-9,11H2,1-2H3/t12-/m1/s1
InChIKeyIVHSEISGVDJNOM-GFCCVEGCSA-N
MW322.31 g/mol
LogP4.14
Rot. Bonds6

About (3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane

(3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 91491545) has the molecular formula C14H24FO5P and a molecular weight of 322.31 g/mol. Its IUPAC name is (3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane
PubChem CID91491545
Molecular FormulaC14H24FO5P
Molecular Weight322.31 g/mol
Exact Mass322.13
IUPAC Name(3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane
SMILESCCOP(=O)(OCC)C(F)=C[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C14H24FO5P/c1-3-18-21(16,19-4-2)13(15)10-12-11-17-14(20-12)8-6-5-7-9-14/h10,12H,3-9,11H2,1-2H3/t12-/m1/s1
InChIKeyIVHSEISGVDJNOM-GFCCVEGCSA-N
XLogP4.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(1,4-dioxaspiro[4.5]decan-3-yl)but-3-en-2-one
CID 15758947
(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
CID 10855919
(Z)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol
CID 13182088
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956
1-[[(S)-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-hydroxymethyl]-(1-hydroxypropyl)phosphoryl]propan-1-ol
CID 102046626
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,4-diethoxybenzamide
CID 7423517
2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl methanesulfonate
CID 145095983
(E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 11358549
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide
CID 18583806
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-3,4,5-triethoxybenzamide
CID 41412174
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane (CID 91491545) is (3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane is CCOP(=O)(OCC)C(F)=C[C@@H]1COC2(CCCCC2)O1.
What is the InChIKey of (3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is IVHSEISGVDJNOM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24FO5P/c1-3-18-21(16,19-4-2)13(15)10-12-11-17-14(20-12)8-6-5-7-9-14/h10,12H,3-9,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane?
(3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 322.31 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-diethoxyphosphoryl-2-fluoroethenyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 91491545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).