2,2,2-trichloro-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]acetamide

C10H14Cl3NO3 — CID 102577345

IUPAC2,2,2-trichloro-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]acetamide
SMILESC=C[C@@H](NC(=O)C(Cl)(Cl)Cl)[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H14Cl3NO3/c1-4-6(14-8(15)10(11,12)13)7-5-16-9(2,3)17-7/h4,6-7H,1,5H2,2-3H3,(H,14,15)/t6-,7-/m1/s1
InChIKeyLDKNCMVFKYLURS-RNFRBKRXSA-N
MW302.59 g/mol
LogP2.18
Rot. Bonds3

About 2,2,2-trichloro-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]acetamide

2,2,2-trichloro-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]acetamide (PubChem CID 102577345) has the molecular formula C10H14Cl3NO3 and a molecular weight of 302.59 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]acetamide
PubChem CID102577345
Molecular FormulaC10H14Cl3NO3
Molecular Weight302.59 g/mol
Exact Mass301.00
IUPAC Name2,2,2-trichloro-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]acetamide
SMILESC=C[C@@H](NC(=O)C(Cl)(Cl)Cl)[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H14Cl3NO3/c1-4-6(14-8(15)10(11,12)13)7-5-16-9(2,3)17-7/h4,6-7H,1,5H2,2-3H3,(H,14,15)/t6-,7-/m1/s1
InChIKeyLDKNCMVFKYLURS-RNFRBKRXSA-N
XLogP2.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.59
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]acetamide (CID 102577345) is 2,2,2-trichloro-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]acetamide is C=C[C@@H](NC(=O)C(Cl)(Cl)Cl)[C@H]1COC(C)(C)O1.
What is the InChIKey of 2,2,2-trichloro-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]acetamide?
The InChIKey is LDKNCMVFKYLURS-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H14Cl3NO3/c1-4-6(14-8(15)10(11,12)13)7-5-16-9(2,3)17-7/h4,6-7H,1,5H2,2-3H3,(H,14,15)/t6-,7-/m1/s1.
What are the key properties of 2,2,2-trichloro-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]acetamide?
2,2,2-trichloro-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]acetamide has a molecular weight of 302.59 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]acetamide is sourced from PubChem (CID 102577345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).