2-chloro-2-fluoro-N-[(2S)-4-methylpentan-2-yl]acetamide

C8H15ClFNO — CID 142342781

IUPAC2-chloro-2-fluoro-N-[(2S)-4-methylpentan-2-yl]acetamide
SMILESCC(C)C[C@H](C)NC(=O)C(F)Cl
InChIInChI=1S/C8H15ClFNO/c1-5(2)4-6(3)11-8(12)7(9)10/h5-7H,4H2,1-3H3,(H,11,12)/t6-,7?/m0/s1
InChIKeyDFCYAKZIDZFVJA-PKPIPKONSA-N
MW195.66 g/mol
LogP2.07
Rot. Bonds4

About 2-chloro-2-fluoro-N-[(2S)-4-methylpentan-2-yl]acetamide

2-chloro-2-fluoro-N-[(2S)-4-methylpentan-2-yl]acetamide (PubChem CID 142342781) has the molecular formula C8H15ClFNO and a molecular weight of 195.66 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-[(2S)-4-methylpentan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-[(2S)-4-methylpentan-2-yl]acetamide
PubChem CID142342781
Molecular FormulaC8H15ClFNO
Molecular Weight195.66 g/mol
Exact Mass195.08
IUPAC Name2-chloro-2-fluoro-N-[(2S)-4-methylpentan-2-yl]acetamide
SMILESCC(C)C[C@H](C)NC(=O)C(F)Cl
InChIInChI=1S/C8H15ClFNO/c1-5(2)4-6(3)11-8(12)7(9)10/h5-7H,4H2,1-3H3,(H,11,12)/t6-,7?/m0/s1
InChIKeyDFCYAKZIDZFVJA-PKPIPKONSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.66
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-methylbutyl)acetamide
CID 2384240
Acetamide, 2-chloro-N-(1-methyl-2-propylpentyl)-
CID 3040307
2-chloro-N-(pentan-2-yl)acetamide
CID 4048512
2-chloro-N-(1-cyclopropylethyl)acetamide
CID 16226952
2-chloro-2-fluoro-N-(3-propan-2-ylcyclobutyl)acetamide
CID 170218827
2-chloro-N-(3,3-dimethylbutan-2-yl)-2-fluoroacetamide
CID 176757515
2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide
CID 177014597
2-Chloro-n-(2-ethylbutyl)acetamide
CID 220786
2-chloro-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2453584
N-(1-chloro-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311007
N-(1-chloro-4-methylpentan-3-yl)-3,3,3-trifluoropropanamide
CID 106354767
N-(1-chloro-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide
CID 114300923

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-[(2S)-4-methylpentan-2-yl]acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-[(2S)-4-methylpentan-2-yl]acetamide (CID 142342781) is 2-chloro-2-fluoro-N-[(2S)-4-methylpentan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-[(2S)-4-methylpentan-2-yl]acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-[(2S)-4-methylpentan-2-yl]acetamide is CC(C)C[C@H](C)NC(=O)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-[(2S)-4-methylpentan-2-yl]acetamide?
The InChIKey is DFCYAKZIDZFVJA-PKPIPKONSA-N. The full InChI is InChI=1S/C8H15ClFNO/c1-5(2)4-6(3)11-8(12)7(9)10/h5-7H,4H2,1-3H3,(H,11,12)/t6-,7?/m0/s1.
What are the key properties of 2-chloro-2-fluoro-N-[(2S)-4-methylpentan-2-yl]acetamide?
2-chloro-2-fluoro-N-[(2S)-4-methylpentan-2-yl]acetamide has a molecular weight of 195.66 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-[(2S)-4-methylpentan-2-yl]acetamide is sourced from PubChem (CID 142342781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).