(4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium

C7H13F2O2PSTi — CID 58364671

IUPAC(4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium
SMILESCC[C@H]1OC(O)C(F)(F)[C@@H]1C.P=S.[Ti]
InChIInChI=1S/C7H12F2O2.HPS.Ti/c1-3-5-4(2)7(8,9)6(10)11-5;1-2;/h4-6,10H,3H2,1-2H3;1H;/t4-,5-,6?;;/m1../s1
InChIKeyQRNILHDNYBNYFY-HLSSZQJOSA-N
MW278.08 g/mol
LogP1.97
Rot. Bonds1

About (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium

(4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium (PubChem CID 58364671) has the molecular formula C7H13F2O2PSTi and a molecular weight of 278.08 g/mol. Its IUPAC name is (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium.

Molecular Properties

Compound Name(4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium
PubChem CID58364671
Molecular FormulaC7H13F2O2PSTi
Molecular Weight278.08 g/mol
Exact Mass277.98
IUPAC Name(4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium
SMILESCC[C@H]1OC(O)C(F)(F)[C@@H]1C.P=S.[Ti]
InChIInChI=1S/C7H12F2O2.HPS.Ti/c1-3-5-4(2)7(8,9)6(10)11-5;1-2;/h4-6,10H,3H2,1-2H3;1H;/t4-,5-,6?;;/m1../s1
InChIKeyQRNILHDNYBNYFY-HLSSZQJOSA-N
XLogP1.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.08
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol
CID 159751594
CID 58995243
CID 58995243
(2S,4S,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane
CID 122450195
(4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol
CID 122450260
(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 14057748
(3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane
CID 130211644
3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58092357
(3R,4S,5R)-5-ethyloxolane-2,3,4-triol
CID 59169178
[(2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-yl] acetate
CID 122450193
(3R,4R,5R)-3-chloro-5-ethyl-2,3,4-trimethyloxolane
CID 118966300
(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59996451
(2R,5S)-6-ethyloxane-2,3,4,5-tetrol
CID 163614233

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium?
The IUPAC name of (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium (CID 58364671) is (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium.
What is the SMILES notation for (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium?
The canonical SMILES for (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium is CC[C@H]1OC(O)C(F)(F)[C@@H]1C.P=S.[Ti].
What is the InChIKey of (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium?
The InChIKey is QRNILHDNYBNYFY-HLSSZQJOSA-N. The full InChI is InChI=1S/C7H12F2O2.HPS.Ti/c1-3-5-4(2)7(8,9)6(10)11-5;1-2;/h4-6,10H,3H2,1-2H3;1H;/t4-,5-,6?;;/m1../s1.
What are the key properties of (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium?
(4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium has a molecular weight of 278.08 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol;sulfanylidenephosphane;titanium is sourced from PubChem (CID 58364671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).