2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxycyclohexyl)butanamide

C10H12F7NO2 — CID 91697599

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxycyclohexyl)butanamide
SMILESO=C(NC1CCC(O)CC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F7NO2/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-1-3-6(19)4-2-5/h5-6,19H,1-4H2,(H,18,20)
InChIKeyLZWXNHIAQTYOTA-UHFFFAOYSA-N
MW311.20 g/mol
LogP2.24
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxycyclohexyl)butanamide

2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxycyclohexyl)butanamide (PubChem CID 91697599) has the molecular formula C10H12F7NO2 and a molecular weight of 311.20 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxycyclohexyl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxycyclohexyl)butanamide
PubChem CID91697599
Molecular FormulaC10H12F7NO2
Molecular Weight311.20 g/mol
Exact Mass311.08
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxycyclohexyl)butanamide
SMILESO=C(NC1CCC(O)CC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F7NO2/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-1-3-6(19)4-2-5/h5-6,19H,1-4H2,(H,18,20)
InChIKeyLZWXNHIAQTYOTA-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 52.24
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 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxycyclohexyl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxycyclohexyl)butanamide (CID 91697599) is 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxycyclohexyl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxycyclohexyl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxycyclohexyl)butanamide is O=C(NC1CCC(O)CC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxycyclohexyl)butanamide?
The InChIKey is LZWXNHIAQTYOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F7NO2/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-1-3-6(19)4-2-5/h5-6,19H,1-4H2,(H,18,20).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxycyclohexyl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxycyclohexyl)butanamide has a molecular weight of 311.20 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxycyclohexyl)butanamide is sourced from PubChem (CID 91697599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).