3-chloro-2,2,3,3-tetrafluoro-N-propan-2-ylpropanamide

C6H8ClF4NO — CID 3835461

IUPAC3-chloro-2,2,3,3-tetrafluoro-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C6H8ClF4NO/c1-3(2)12-4(13)5(8,9)6(7,10)11/h3H,1-2H3,(H,12,13)
InChIKeyUZOPMOOGGWYWOQ-UHFFFAOYSA-N
MW221.58 g/mol
LogP1.98
Rot. Bonds3

About 3-chloro-2,2,3,3-tetrafluoro-N-propan-2-ylpropanamide

3-chloro-2,2,3,3-tetrafluoro-N-propan-2-ylpropanamide (PubChem CID 3835461) has the molecular formula C6H8ClF4NO and a molecular weight of 221.58 g/mol. Its IUPAC name is 3-chloro-2,2,3,3-tetrafluoro-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-chloro-2,2,3,3-tetrafluoro-N-propan-2-ylpropanamide
PubChem CID3835461
Molecular FormulaC6H8ClF4NO
Molecular Weight221.58 g/mol
Exact Mass221.02
IUPAC Name3-chloro-2,2,3,3-tetrafluoro-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C6H8ClF4NO/c1-3(2)12-4(13)5(8,9)6(7,10)11/h3H,1-2H3,(H,12,13)
InChIKeyUZOPMOOGGWYWOQ-UHFFFAOYSA-N
XLogP1.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.58
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2,3,3-tetrafluoro-N-propan-2-ylpropanamide?
The IUPAC name of 3-chloro-2,2,3,3-tetrafluoro-N-propan-2-ylpropanamide (CID 3835461) is 3-chloro-2,2,3,3-tetrafluoro-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-chloro-2,2,3,3-tetrafluoro-N-propan-2-ylpropanamide?
The canonical SMILES for 3-chloro-2,2,3,3-tetrafluoro-N-propan-2-ylpropanamide is CC(C)NC(=O)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 3-chloro-2,2,3,3-tetrafluoro-N-propan-2-ylpropanamide?
The InChIKey is UZOPMOOGGWYWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF4NO/c1-3(2)12-4(13)5(8,9)6(7,10)11/h3H,1-2H3,(H,12,13).
What are the key properties of 3-chloro-2,2,3,3-tetrafluoro-N-propan-2-ylpropanamide?
3-chloro-2,2,3,3-tetrafluoro-N-propan-2-ylpropanamide has a molecular weight of 221.58 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2,3,3-tetrafluoro-N-propan-2-ylpropanamide is sourced from PubChem (CID 3835461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).