2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide

C8H12ClF2NO2 — CID 40538955

IUPAC2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1O)C(F)(F)Cl
InChIInChI=1S/C8H12ClF2NO2/c9-8(10,11)7(14)12-5-3-1-2-4-6(5)13/h5-6,13H,1-4H2,(H,12,14)/t5-,6+/m1/s1
InChIKeyWRSQOBOPYSIVEC-RITPCOANSA-N
MW227.64 g/mol
LogP1.24
Rot. Bonds2

About 2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide

2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide (PubChem CID 40538955) has the molecular formula C8H12ClF2NO2 and a molecular weight of 227.64 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
PubChem CID40538955
Molecular FormulaC8H12ClF2NO2
Molecular Weight227.64 g/mol
Exact Mass227.05
IUPAC Name2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1O)C(F)(F)Cl
InChIInChI=1S/C8H12ClF2NO2/c9-8(10,11)7(14)12-5-3-1-2-4-6(5)13/h5-6,13H,1-4H2,(H,12,14)/t5-,6+/m1/s1
InChIKeyWRSQOBOPYSIVEC-RITPCOANSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.64
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(2-hydroxycyclohexyl)acetamide
CID 62360896
2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide
CID 40538968
trans-(1R,2R)-2-[(2-chloro-2,2-difluoroacetyl)amino]-N-methylcyclohexane-1-carboxamide
CID 99697543
2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide
CID 130674365
3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 107216789
3,3,3-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)propanamide
CID 103310253
3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide
CID 65267153
N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512
1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 104954569
3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 94415384
2-bromo-N-(2-hydroxycyclohexyl)acetamide
CID 63680498
2-(ethylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide
CID 94878499

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide?
The IUPAC name of 2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide (CID 40538955) is 2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide.
What is the SMILES notation for 2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide?
The canonical SMILES for 2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide is O=C(N[C@@H]1CCCC[C@@H]1O)C(F)(F)Cl.
What is the InChIKey of 2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide?
The InChIKey is WRSQOBOPYSIVEC-RITPCOANSA-N. The full InChI is InChI=1S/C8H12ClF2NO2/c9-8(10,11)7(14)12-5-3-1-2-4-6(5)13/h5-6,13H,1-4H2,(H,12,14)/t5-,6+/m1/s1.
What are the key properties of 2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide?
2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide has a molecular weight of 227.64 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 40538955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).