(2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol

C6H7F3O3 — CID 101422665

IUPAC(2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol
SMILESC=C1C(O)CO[C@]1(O)C(F)(F)F
InChIInChI=1S/C6H7F3O3/c1-3-4(10)2-12-5(3,11)6(7,8)9/h4,10-11H,1-2H2/t4?,5-/m0/s1
InChIKeySQFXITQLBMBNNN-AKGZTFGVSA-N
MW184.11 g/mol
LogP0.18
Rot. Bonds

About (2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol

(2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol (PubChem CID 101422665) has the molecular formula C6H7F3O3 and a molecular weight of 184.11 g/mol. Its IUPAC name is (2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol.

Molecular Properties

Compound Name(2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol
PubChem CID101422665
Molecular FormulaC6H7F3O3
Molecular Weight184.11 g/mol
Exact Mass184.03
IUPAC Name(2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol
SMILESC=C1C(O)CO[C@]1(O)C(F)(F)F
InChIInChI=1S/C6H7F3O3/c1-3-4(10)2-12-5(3,11)6(7,8)9/h4,10-11H,1-2H2/t4?,5-/m0/s1
InChIKeySQFXITQLBMBNNN-AKGZTFGVSA-N
XLogP0.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3E,4S,5R)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol
CID 59096586
(2R,4S,5R)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol
CID 90855435
(3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol
CID 142276124
(2R)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol
CID 16092777
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(trifluoromethyl)prop-2-en-1-ol
CID 24770610
(4R)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol
CID 130741600
(2S,4R)-2-methyl-3-methylideneoxolane-2,4-diol
CID 68013251

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol?
The IUPAC name of (2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol (CID 101422665) is (2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol.
What is the SMILES notation for (2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol?
The canonical SMILES for (2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol is C=C1C(O)CO[C@]1(O)C(F)(F)F.
What is the InChIKey of (2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol?
The InChIKey is SQFXITQLBMBNNN-AKGZTFGVSA-N. The full InChI is InChI=1S/C6H7F3O3/c1-3-4(10)2-12-5(3,11)6(7,8)9/h4,10-11H,1-2H2/t4?,5-/m0/s1.
What are the key properties of (2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol?
(2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol has a molecular weight of 184.11 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol is sourced from PubChem (CID 101422665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).