N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide

C11H10ClF4NO — CID 103732092

IUPACN-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCCc1cccc(Cl)c1)C(F)(F)C(F)F
InChIInChI=1S/C11H10ClF4NO/c12-8-3-1-2-7(6-8)4-5-17-10(18)11(15,16)9(13)14/h1-3,6,9H,4-5H2,(H,17,18)
InChIKeyATTWBLVCIVDOKV-UHFFFAOYSA-N
MW283.65 g/mol
LogP2.90
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide

N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 103732092) has the molecular formula C11H10ClF4NO and a molecular weight of 283.65 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID103732092
Molecular FormulaC11H10ClF4NO
Molecular Weight283.65 g/mol
Exact Mass283.04
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCCc1cccc(Cl)c1)C(F)(F)C(F)F
InChIInChI=1S/C11H10ClF4NO/c12-8-3-1-2-7(6-8)4-5-17-10(18)11(15,16)9(13)14/h1-3,6,9H,4-5H2,(H,17,18)
InChIKeyATTWBLVCIVDOKV-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.65
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide (CID 103732092) is N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide is O=C(NCCc1cccc(Cl)c1)C(F)(F)C(F)F.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is ATTWBLVCIVDOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF4NO/c12-8-3-1-2-7(6-8)4-5-17-10(18)11(15,16)9(13)14/h1-3,6,9H,4-5H2,(H,17,18).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide?
N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 283.65 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103732092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).