N-butyl-2-chloro-2-fluoroacetamide

C6H11ClFNO — CID 119097971

IUPACN-butyl-2-chloro-2-fluoroacetamide
SMILESCCCCNC(=O)C(F)Cl
InChIInChI=1S/C6H11ClFNO/c1-2-3-4-9-6(10)5(7)8/h5H,2-4H2,1H3,(H,9,10)
InChIKeyNLUBAXTUDZDYOE-UHFFFAOYSA-N
MW167.61 g/mol
LogP1.44
Rot. Bonds4

About N-butyl-2-chloro-2-fluoroacetamide

N-butyl-2-chloro-2-fluoroacetamide (PubChem CID 119097971) has the molecular formula C6H11ClFNO and a molecular weight of 167.61 g/mol. Its IUPAC name is N-butyl-2-chloro-2-fluoroacetamide.

Molecular Properties

Compound NameN-butyl-2-chloro-2-fluoroacetamide
PubChem CID119097971
Molecular FormulaC6H11ClFNO
Molecular Weight167.61 g/mol
Exact Mass167.05
IUPAC NameN-butyl-2-chloro-2-fluoroacetamide
SMILESCCCCNC(=O)C(F)Cl
InChIInChI=1S/C6H11ClFNO/c1-2-3-4-9-6(10)5(7)8/h5H,2-4H2,1H3,(H,9,10)
InChIKeyNLUBAXTUDZDYOE-UHFFFAOYSA-N
XLogP1.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.61
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-methylethyl)acetamide
CID 76171
N-butyl-2-chloroacetamide
CID 219645
2-chloro-N-ethylacetamide
CID 66044
2-Chloro-N-isobutylacetamide
CID 222359
N-(2-Chloroethyl)acetamide
CID 81815
Acetamide, N-(2-chloroethyl)-2-fluoro-
CID 68025
2-chloro-N-(propan-2-yl)propanamide
CID 4961779
2-chloro-N-(2,2,2-trifluoroethyl)propanamide
CID 3799469
2-chloro-N-pentylacetamide
CID 222360
2-chloro-N-hexylacetamide
CID 138456
N-(3-chloropropyl)acetamide
CID 3361051
2-chloro-N-(3-methylbutyl)acetamide
CID 2384240

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-2-fluoroacetamide?
The IUPAC name of N-butyl-2-chloro-2-fluoroacetamide (CID 119097971) is N-butyl-2-chloro-2-fluoroacetamide.
What is the SMILES notation for N-butyl-2-chloro-2-fluoroacetamide?
The canonical SMILES for N-butyl-2-chloro-2-fluoroacetamide is CCCCNC(=O)C(F)Cl.
What is the InChIKey of N-butyl-2-chloro-2-fluoroacetamide?
The InChIKey is NLUBAXTUDZDYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClFNO/c1-2-3-4-9-6(10)5(7)8/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of N-butyl-2-chloro-2-fluoroacetamide?
N-butyl-2-chloro-2-fluoroacetamide has a molecular weight of 167.61 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-2-fluoroacetamide is sourced from PubChem (CID 119097971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).