2-chloro-N-ethyl-N-(1,1,1-trifluoropropan-2-yl)acetamide

C7H11ClF3NO — CID 146094381

IUPAC2-chloro-N-ethyl-N-(1,1,1-trifluoropropan-2-yl)acetamide
SMILESCCN(C(=O)CCl)C(C)C(F)(F)F
InChIInChI=1S/C7H11ClF3NO/c1-3-12(6(13)4-8)5(2)7(9,10)11/h5H,3-4H2,1-2H3
InChIKeyCAVJRCSCWNUNGA-UHFFFAOYSA-N
MW217.62 g/mol
LogP2.02
Rot. Bonds3

About 2-chloro-N-ethyl-N-(1,1,1-trifluoropropan-2-yl)acetamide

2-chloro-N-ethyl-N-(1,1,1-trifluoropropan-2-yl)acetamide (PubChem CID 146094381) has the molecular formula C7H11ClF3NO and a molecular weight of 217.62 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(1,1,1-trifluoropropan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(1,1,1-trifluoropropan-2-yl)acetamide
PubChem CID146094381
Molecular FormulaC7H11ClF3NO
Molecular Weight217.62 g/mol
Exact Mass217.05
IUPAC Name2-chloro-N-ethyl-N-(1,1,1-trifluoropropan-2-yl)acetamide
SMILESCCN(C(=O)CCl)C(C)C(F)(F)F
InChIInChI=1S/C7H11ClF3NO/c1-3-12(6(13)4-8)5(2)7(9,10)11/h5H,3-4H2,1-2H3
InChIKeyCAVJRCSCWNUNGA-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.62
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 60809013
2-chloro-N-ethyl-N-[1-(4-iodophenyl)ethyl]acetamide
CID 123273656
2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide
CID 143383896
2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide
CID 141318691
N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide
CID 126737316
2-chloro-N-methyl-N-propan-2-ylacetamide
CID 8899730
2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide
CID 93344235
N-butan-2-yl-5-chloro-N-ethylpentanamide
CID 43274439
3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide
CID 158689027
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
CID 60809342
N-tert-butyl-2-chloro-N-hydroxyacetamide
CID 55301103
3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide
CID 62728135

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(1,1,1-trifluoropropan-2-yl)acetamide?
The IUPAC name of 2-chloro-N-ethyl-N-(1,1,1-trifluoropropan-2-yl)acetamide (CID 146094381) is 2-chloro-N-ethyl-N-(1,1,1-trifluoropropan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(1,1,1-trifluoropropan-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(1,1,1-trifluoropropan-2-yl)acetamide is CCN(C(=O)CCl)C(C)C(F)(F)F.
What is the InChIKey of 2-chloro-N-ethyl-N-(1,1,1-trifluoropropan-2-yl)acetamide?
The InChIKey is CAVJRCSCWNUNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF3NO/c1-3-12(6(13)4-8)5(2)7(9,10)11/h5H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-(1,1,1-trifluoropropan-2-yl)acetamide?
2-chloro-N-ethyl-N-(1,1,1-trifluoropropan-2-yl)acetamide has a molecular weight of 217.62 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(1,1,1-trifluoropropan-2-yl)acetamide is sourced from PubChem (CID 146094381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).