(2S)-2-chloro-N,N-diethyl-2-fluoroacetamide

C6H11ClFNO — CID 6931979

IUPAC(2S)-2-chloro-N,N-diethyl-2-fluoroacetamide
SMILESCCN(CC)C(=O)[C@@H](F)Cl
InChIInChI=1S/C6H11ClFNO/c1-3-9(4-2)6(10)5(7)8/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyJCRDJKCRGITHDO-RXMQYKEDSA-N
MW167.61 g/mol
LogP1.39
Rot. Bonds3

About (2S)-2-chloro-N,N-diethyl-2-fluoroacetamide

(2S)-2-chloro-N,N-diethyl-2-fluoroacetamide (PubChem CID 6931979) has the molecular formula C6H11ClFNO and a molecular weight of 167.61 g/mol. Its IUPAC name is (2S)-2-chloro-N,N-diethyl-2-fluoroacetamide.

Molecular Properties

Compound Name(2S)-2-chloro-N,N-diethyl-2-fluoroacetamide
PubChem CID6931979
Molecular FormulaC6H11ClFNO
Molecular Weight167.61 g/mol
Exact Mass167.05
IUPAC Name(2S)-2-chloro-N,N-diethyl-2-fluoroacetamide
SMILESCCN(CC)C(=O)[C@@H](F)Cl
InChIInChI=1S/C6H11ClFNO/c1-3-9(4-2)6(10)5(7)8/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyJCRDJKCRGITHDO-RXMQYKEDSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.61
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N,N-diethyl-2-fluoroacetamide?
The IUPAC name of (2S)-2-chloro-N,N-diethyl-2-fluoroacetamide (CID 6931979) is (2S)-2-chloro-N,N-diethyl-2-fluoroacetamide.
What is the SMILES notation for (2S)-2-chloro-N,N-diethyl-2-fluoroacetamide?
The canonical SMILES for (2S)-2-chloro-N,N-diethyl-2-fluoroacetamide is CCN(CC)C(=O)[C@@H](F)Cl.
What is the InChIKey of (2S)-2-chloro-N,N-diethyl-2-fluoroacetamide?
The InChIKey is JCRDJKCRGITHDO-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11ClFNO/c1-3-9(4-2)6(10)5(7)8/h5H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of (2S)-2-chloro-N,N-diethyl-2-fluoroacetamide?
(2S)-2-chloro-N,N-diethyl-2-fluoroacetamide has a molecular weight of 167.61 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N,N-diethyl-2-fluoroacetamide is sourced from PubChem (CID 6931979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).