2,2,3,3-tetrafluoro-N-[4-(2,2,3,3-tetrafluoropropanoylamino)cyclohexyl]propanamide

C12H14F8N2O2 — CID 2250861

IUPAC2,2,3,3-tetrafluoro-N-[4-(2,2,3,3-tetrafluoropropanoylamino)cyclohexyl]propanamide
SMILESO=C(NC1CCC(NC(=O)C(F)(F)C(F)F)CC1)C(F)(F)C(F)F
InChIInChI=1S/C12H14F8N2O2/c13-7(14)11(17,18)9(23)21-5-1-2-6(4-3-5)22-10(24)12(19,20)8(15)16/h5-8H,1-4H2,(H,21,23)(H,22,24)
InChIKeyRTSKRWJWWXOXOA-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.33
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-[4-(2,2,3,3-tetrafluoropropanoylamino)cyclohexyl]propanamide

2,2,3,3-tetrafluoro-N-[4-(2,2,3,3-tetrafluoropropanoylamino)cyclohexyl]propanamide (PubChem CID 2250861) has the molecular formula C12H14F8N2O2 and a molecular weight of 370.24 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[4-(2,2,3,3-tetrafluoropropanoylamino)cyclohexyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[4-(2,2,3,3-tetrafluoropropanoylamino)cyclohexyl]propanamide
PubChem CID2250861
Molecular FormulaC12H14F8N2O2
Molecular Weight370.24 g/mol
Exact Mass370.09
IUPAC Name2,2,3,3-tetrafluoro-N-[4-(2,2,3,3-tetrafluoropropanoylamino)cyclohexyl]propanamide
SMILESO=C(NC1CCC(NC(=O)C(F)(F)C(F)F)CC1)C(F)(F)C(F)F
InChIInChI=1S/C12H14F8N2O2/c13-7(14)11(17,18)9(23)21-5-1-2-6(4-3-5)22-10(24)12(19,20)8(15)16/h5-8H,1-4H2,(H,21,23)(H,22,24)
InChIKeyRTSKRWJWWXOXOA-UHFFFAOYSA-N
XLogP2.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2,2,3,3-tetrafluoro-N-[4-(2,2,3,3-tetrafluoropropanoylamino)cyclohexyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[4-(2,2,3,3-tetrafluoropropanoylamino)cyclohexyl]propanamide (CID 2250861) is 2,2,3,3-tetrafluoro-N-[4-(2,2,3,3-tetrafluoropropanoylamino)cyclohexyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[4-(2,2,3,3-tetrafluoropropanoylamino)cyclohexyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[4-(2,2,3,3-tetrafluoropropanoylamino)cyclohexyl]propanamide is O=C(NC1CCC(NC(=O)C(F)(F)C(F)F)CC1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[4-(2,2,3,3-tetrafluoropropanoylamino)cyclohexyl]propanamide?
The InChIKey is RTSKRWJWWXOXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F8N2O2/c13-7(14)11(17,18)9(23)21-5-1-2-6(4-3-5)22-10(24)12(19,20)8(15)16/h5-8H,1-4H2,(H,21,23)(H,22,24).
What are the key properties of 2,2,3,3-tetrafluoro-N-[4-(2,2,3,3-tetrafluoropropanoylamino)cyclohexyl]propanamide?
2,2,3,3-tetrafluoro-N-[4-(2,2,3,3-tetrafluoropropanoylamino)cyclohexyl]propanamide has a molecular weight of 370.24 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[4-(2,2,3,3-tetrafluoropropanoylamino)cyclohexyl]propanamide is sourced from PubChem (CID 2250861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).