2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide

C8H12Cl3NO — CID 13225937

IUPAC2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide
SMILESC=C[C@@H](CCC)NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C8H12Cl3NO/c1-3-5-6(4-2)12-7(13)8(9,10)11/h4,6H,2-3,5H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyAHZPHJGCPFONOJ-LURJTMIESA-N
MW244.55 g/mol
LogP2.83
Rot. Bonds4

About 2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide

2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide (PubChem CID 13225937) has the molecular formula C8H12Cl3NO and a molecular weight of 244.55 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide
PubChem CID13225937
Molecular FormulaC8H12Cl3NO
Molecular Weight244.55 g/mol
Exact Mass243.00
IUPAC Name2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide
SMILESC=C[C@@H](CCC)NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C8H12Cl3NO/c1-3-5-6(4-2)12-7(13)8(9,10)11/h4,6H,2-3,5H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyAHZPHJGCPFONOJ-LURJTMIESA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.55
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hex-1-en-3-ylpropanamide
CID 54131480
4-ethylsulfonyl-2-[(2,2,2-trichloroacetyl)amino]butanoic acid
CID 108731643
2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide
CID 11953349
tert-butyl N-[(3S,5R)-5-hydroxyoct-1-en-3-yl]carbamate
CID 44605568
3-methyl-2-[(2,2,2-trichloroacetyl)amino]pentanoic acid
CID 21402667
2,2,2-trichloro-N-[(E,3R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-en-3-yl]acetamide
CID 15738404
ethyl N-(5-hydroxypent-1-en-3-yl)carbamate
CID 45122936
(3R)-3-ethenylhexanoic acid
CID 55301979
(2R,3S)-3-hydroxy-2-propylpent-4-enoic acid
CID 135047760
tert-butyl-(hex-1-en-3-ylamino)-oxidosulfanium
CID 175613006
N-ethenylhept-1-en-3-amine
CID 142241347
carbonic acid;3-methylhex-1-ene
CID 161181273

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide (CID 13225937) is 2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide is C=C[C@@H](CCC)NC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide?
The InChIKey is AHZPHJGCPFONOJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H12Cl3NO/c1-3-5-6(4-2)12-7(13)8(9,10)11/h4,6H,2-3,5H2,1H3,(H,12,13)/t6-/m0/s1.
What are the key properties of 2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide?
2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide has a molecular weight of 244.55 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide is sourced from PubChem (CID 13225937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).