(2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol

C8H15Cl2NO — CID 79249808

IUPAC(2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2NO/c1-6(2)8(5-12)11-4-7(10)3-9/h3,6,8,11-12H,4-5H2,1-2H3/t8-/m1/s1
InChIKeyFJCCLDISCSESIR-MRVPVSSYSA-N
MW212.12 g/mol
LogP1.91
Rot. Bonds5

About (2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol

(2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol (PubChem CID 79249808) has the molecular formula C8H15Cl2NO and a molecular weight of 212.12 g/mol. Its IUPAC name is (2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol
PubChem CID79249808
Molecular FormulaC8H15Cl2NO
Molecular Weight212.12 g/mol
Exact Mass211.05
IUPAC Name(2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2NO/c1-6(2)8(5-12)11-4-7(10)3-9/h3,6,8,11-12H,4-5H2,1-2H3/t8-/m1/s1
InChIKeyFJCCLDISCSESIR-MRVPVSSYSA-N
XLogP1.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol (CID 79249808) is (2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol is CC(C)[C@@H](CO)NCC(Cl)=CCl.
What is the InChIKey of (2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol?
The InChIKey is FJCCLDISCSESIR-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15Cl2NO/c1-6(2)8(5-12)11-4-7(10)3-9/h3,6,8,11-12H,4-5H2,1-2H3/t8-/m1/s1.
What are the key properties of (2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol?
(2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol has a molecular weight of 212.12 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dichloroprop-2-enylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 79249808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).