2,2,2-trichloro-N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]acetamide

C7H10Cl3NO3 — CID 101055873

IUPAC2,2,2-trichloro-N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]acetamide
SMILESO=C(N[C@@H]1CC[C@@H](O)[C@H]1O)C(Cl)(Cl)Cl
InChIInChI=1S/C7H10Cl3NO3/c8-7(9,10)6(14)11-3-1-2-4(12)5(3)13/h3-5,12-13H,1-2H2,(H,11,14)/t3-,4-,5+/m1/s1
InChIKeyNJFYVFSIVDARHW-WDCZJNDASA-N
MW262.52 g/mol
LogP0.36
Rot. Bonds1

About 2,2,2-trichloro-N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]acetamide

2,2,2-trichloro-N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]acetamide (PubChem CID 101055873) has the molecular formula C7H10Cl3NO3 and a molecular weight of 262.52 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]acetamide
PubChem CID101055873
Molecular FormulaC7H10Cl3NO3
Molecular Weight262.52 g/mol
Exact Mass260.97
IUPAC Name2,2,2-trichloro-N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]acetamide
SMILESO=C(N[C@@H]1CC[C@@H](O)[C@H]1O)C(Cl)(Cl)Cl
InChIInChI=1S/C7H10Cl3NO3/c8-7(9,10)6(14)11-3-1-2-4(12)5(3)13/h3-5,12-13H,1-2H2,(H,11,14)/t3-,4-,5+/m1/s1
InChIKeyNJFYVFSIVDARHW-WDCZJNDASA-N
XLogP0.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.52
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide
CID 110125116
2,2,2-trichloro-N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]acetamide
CID 101055879
N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]pyrimidine-4-carboxamide
CID 110125140
2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 40538955
N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide
CID 101197936
ethyl 2-ethyl-5-[(2,2,2-trichloroacetyl)amino]cyclopentane-1-carboxylate
CID 139250012
2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide
CID 158442389
2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide
CID 110125138
2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide
CID 130674365
(1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol
CID 10176209
methyl (3R,3aS,4S)-3-[(2,2,2-trichloroacetyl)amino]-2,3,3a,4,5,6-hexahydro-1H-indene-4-carboxylate
CID 135028157
2-cyclopentyl-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
CID 110125825

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]acetamide (CID 101055873) is 2,2,2-trichloro-N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]acetamide is O=C(N[C@@H]1CC[C@@H](O)[C@H]1O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]acetamide?
The InChIKey is NJFYVFSIVDARHW-WDCZJNDASA-N. The full InChI is InChI=1S/C7H10Cl3NO3/c8-7(9,10)6(14)11-3-1-2-4(12)5(3)13/h3-5,12-13H,1-2H2,(H,11,14)/t3-,4-,5+/m1/s1.
What are the key properties of 2,2,2-trichloro-N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]acetamide?
2,2,2-trichloro-N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]acetamide has a molecular weight of 262.52 g/mol, XLogP of 0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]acetamide is sourced from PubChem (CID 101055873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).