N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide

C9H12ClF4NO — CID 106441937

IUPACN-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NC1CCCCC1Cl)C(F)(F)C(F)F
InChIInChI=1S/C9H12ClF4NO/c10-5-3-1-2-4-6(5)15-8(16)9(13,14)7(11)12/h5-7H,1-4H2,(H,15,16)
InChIKeyFNLOWBQMICRZDD-UHFFFAOYSA-N
MW261.65 g/mol
LogP2.55
Rot. Bonds3

About N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide

N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 106441937) has the molecular formula C9H12ClF4NO and a molecular weight of 261.65 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID106441937
Molecular FormulaC9H12ClF4NO
Molecular Weight261.65 g/mol
Exact Mass261.05
IUPAC NameN-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NC1CCCCC1Cl)C(F)(F)C(F)F
InChIInChI=1S/C9H12ClF4NO/c10-5-3-1-2-4-6(5)15-8(16)9(13,14)7(11)12/h5-7H,1-4H2,(H,15,16)
InChIKeyFNLOWBQMICRZDD-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.65
LogP ≤ 52.55
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 N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide (CID 106441937) is N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide is O=C(NC1CCCCC1Cl)C(F)(F)C(F)F.
What is the InChIKey of N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is FNLOWBQMICRZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF4NO/c10-5-3-1-2-4-6(5)15-8(16)9(13,14)7(11)12/h5-7H,1-4H2,(H,15,16).
What are the key properties of N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide?
N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 261.65 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 106441937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).