2,2,3,3-tetrafluoro-N-(2-hydroxycycloheptyl)propanamide

C10H15F4NO2 — CID 114032585

IUPAC2,2,3,3-tetrafluoro-N-(2-hydroxycycloheptyl)propanamide
SMILESO=C(NC1CCCCCC1O)C(F)(F)C(F)F
InChIInChI=1S/C10H15F4NO2/c11-8(12)10(13,14)9(17)15-6-4-2-1-3-5-7(6)16/h6-8,16H,1-5H2,(H,15,17)
InChIKeyBFGYCCGWZAAXKD-UHFFFAOYSA-N
MW257.23 g/mol
LogP1.70
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-(2-hydroxycycloheptyl)propanamide

2,2,3,3-tetrafluoro-N-(2-hydroxycycloheptyl)propanamide (PubChem CID 114032585) has the molecular formula C10H15F4NO2 and a molecular weight of 257.23 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(2-hydroxycycloheptyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(2-hydroxycycloheptyl)propanamide
PubChem CID114032585
Molecular FormulaC10H15F4NO2
Molecular Weight257.23 g/mol
Exact Mass257.10
IUPAC Name2,2,3,3-tetrafluoro-N-(2-hydroxycycloheptyl)propanamide
SMILESO=C(NC1CCCCCC1O)C(F)(F)C(F)F
InChIInChI=1S/C10H15F4NO2/c11-8(12)10(13,14)9(17)15-6-4-2-1-3-5-7(6)16/h6-8,16H,1-5H2,(H,15,17)
InChIKeyBFGYCCGWZAAXKD-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 51.70
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-(2-hydroxycycloheptyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(2-hydroxycycloheptyl)propanamide (CID 114032585) is 2,2,3,3-tetrafluoro-N-(2-hydroxycycloheptyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(2-hydroxycycloheptyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(2-hydroxycycloheptyl)propanamide is O=C(NC1CCCCCC1O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(2-hydroxycycloheptyl)propanamide?
The InChIKey is BFGYCCGWZAAXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F4NO2/c11-8(12)10(13,14)9(17)15-6-4-2-1-3-5-7(6)16/h6-8,16H,1-5H2,(H,15,17).
What are the key properties of 2,2,3,3-tetrafluoro-N-(2-hydroxycycloheptyl)propanamide?
2,2,3,3-tetrafluoro-N-(2-hydroxycycloheptyl)propanamide has a molecular weight of 257.23 g/mol, XLogP of 1.70, 3 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-(2-hydroxycycloheptyl)propanamide is sourced from PubChem (CID 114032585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).