CID 58241252

C7H10F3N2O3 — CID 58241252

IUPAC—
SMILESO=C(NC1NC[CH][C@H](O)[C@@H]1O)C(F)(F)F
InChIInChI=1S/C7H10F3N2O3/c8-7(9,10)6(15)12-5-4(14)3(13)1-2-11-5/h1,3-5,11,13-14H,2H2,(H,12,15)/t3-,4-,5?/m0/s1
InChIKeyPOCFKCTVFBRZJA-QRHDOFTISA-N
MW227.16 g/mol
LogP-1.48
Rot. Bonds1

About CID 58241252

CID 58241252 (PubChem CID 58241252) has the molecular formula C7H10F3N2O3 and a molecular weight of 227.16 g/mol.

Molecular Properties

Compound NameCID 58241252
PubChem CID58241252
Molecular FormulaC7H10F3N2O3
Molecular Weight227.16 g/mol
Exact Mass227.06
IUPAC Name—
SMILESO=C(NC1NC[CH][C@H](O)[C@@H]1O)C(F)(F)F
InChIInChI=1S/C7H10F3N2O3/c8-7(9,10)6(15)12-5-4(14)3(13)1-2-11-5/h1,3-5,11,13-14H,2H2,(H,12,15)/t3-,4-,5?/m0/s1
InChIKeyPOCFKCTVFBRZJA-QRHDOFTISA-N
XLogP-1.48
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 107224960
(2S)-2beta-(Trifluoroacetylamino)-5alpha-methylpiperidine-3alpha,4alpha-diol
CID 9837683
N-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide
CID 20757634
N-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide
CID 23000885
N-[(2S,3S,4R,5R)-1,2,6-trifluoro-3,4-dihydroxy-5-methylpiperidin-2-yl]acetamide
CID 88046157
N-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide
CID 88945088
2,2,2-trifluoro-N-[(2R,3R,4S,5S)-3,4,5-trihydroxypiperidin-2-yl]acetamide
CID 139641829
N-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide
CID 9838026
N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide
CID 9903259
2,2,2-trifluoro-N-[(2S,3S,4R,5R)-3,4,5-trihydroxypiperidin-2-yl]acetamide;hydrochloride
CID 10016544
2,2,2-trifluoro-N-[(2S,3S,4R,5R)-3,4,5-trihydroxypiperidin-2-yl]acetamide
CID 10016545
N-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methylpiperidin-1-ium-2-yl]-2,2,2-trifluoroacetamide chloride
CID 10802588

Frequently Asked Questions

What is the IUPAC name of CID 58241252?
The IUPAC name of CID 58241252 (CID 58241252) is not available.
What is the SMILES notation for CID 58241252?
The canonical SMILES for CID 58241252 is O=C(NC1NC[CH][C@H](O)[C@@H]1O)C(F)(F)F.
What is the InChIKey of CID 58241252?
The InChIKey is POCFKCTVFBRZJA-QRHDOFTISA-N. The full InChI is InChI=1S/C7H10F3N2O3/c8-7(9,10)6(15)12-5-4(14)3(13)1-2-11-5/h1,3-5,11,13-14H,2H2,(H,12,15)/t3-,4-,5?/m0/s1.
What are the key properties of CID 58241252?
CID 58241252 has a molecular weight of 227.16 g/mol, XLogP of -1.48, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58241252 is sourced from PubChem (CID 58241252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).