2-(fluoromethyl)-3-(propan-2-ylamino)propanoyl chloride;hydrochloride

C7H14Cl2FNO — CID 138673191

IUPAC2-(fluoromethyl)-3-(propan-2-ylamino)propanoyl chloride;hydrochloride
SMILESCC(C)NCC(CF)C(=O)Cl.Cl
InChIInChI=1S/C7H13ClFNO.ClH/c1-5(2)10-4-6(3-9)7(8)11;/h5-6,10H,3-4H2,1-2H3;1H
InChIKeyDLWJQRFUBQCRQY-UHFFFAOYSA-N
MW218.10 g/mol
LogP1.76
Rot. Bonds5

About 2-(fluoromethyl)-3-(propan-2-ylamino)propanoyl chloride;hydrochloride

2-(fluoromethyl)-3-(propan-2-ylamino)propanoyl chloride;hydrochloride (PubChem CID 138673191) has the molecular formula C7H14Cl2FNO and a molecular weight of 218.10 g/mol. Its IUPAC name is 2-(fluoromethyl)-3-(propan-2-ylamino)propanoyl chloride;hydrochloride.

Molecular Properties

Compound Name2-(fluoromethyl)-3-(propan-2-ylamino)propanoyl chloride;hydrochloride
PubChem CID138673191
Molecular FormulaC7H14Cl2FNO
Molecular Weight218.10 g/mol
Exact Mass217.04
IUPAC Name2-(fluoromethyl)-3-(propan-2-ylamino)propanoyl chloride;hydrochloride
SMILESCC(C)NCC(CF)C(=O)Cl.Cl
InChIInChI=1S/C7H13ClFNO.ClH/c1-5(2)10-4-6(3-9)7(8)11;/h5-6,10H,3-4H2,1-2H3;1H
InChIKeyDLWJQRFUBQCRQY-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3-(propan-2-ylamino)propanoyl chloride;hydrochloride?
The IUPAC name of 2-(fluoromethyl)-3-(propan-2-ylamino)propanoyl chloride;hydrochloride (CID 138673191) is 2-(fluoromethyl)-3-(propan-2-ylamino)propanoyl chloride;hydrochloride.
What is the SMILES notation for 2-(fluoromethyl)-3-(propan-2-ylamino)propanoyl chloride;hydrochloride?
The canonical SMILES for 2-(fluoromethyl)-3-(propan-2-ylamino)propanoyl chloride;hydrochloride is CC(C)NCC(CF)C(=O)Cl.Cl.
What is the InChIKey of 2-(fluoromethyl)-3-(propan-2-ylamino)propanoyl chloride;hydrochloride?
The InChIKey is DLWJQRFUBQCRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClFNO.ClH/c1-5(2)10-4-6(3-9)7(8)11;/h5-6,10H,3-4H2,1-2H3;1H.
What are the key properties of 2-(fluoromethyl)-3-(propan-2-ylamino)propanoyl chloride;hydrochloride?
2-(fluoromethyl)-3-(propan-2-ylamino)propanoyl chloride;hydrochloride has a molecular weight of 218.10 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-3-(propan-2-ylamino)propanoyl chloride;hydrochloride is sourced from PubChem (CID 138673191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).