N'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide

C10H11F9N2O3 — CID 175304090

IUPACN'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide
SMILESNC(=O)CC(=O)NCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F9N2O3/c11-7(12,8(13,14)9(15,16)10(17,18)19)2-4(22)3-21-6(24)1-5(20)23/h4,22H,1-3H2,(H2,20,23)(H,21,24)
InChIKeyDGRMEKPTNVBDDW-UHFFFAOYSA-N
MW378.19 g/mol
LogP1.20
Rot. Bonds8

About N'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide

N'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide (PubChem CID 175304090) has the molecular formula C10H11F9N2O3 and a molecular weight of 378.19 g/mol. Its IUPAC name is N'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide.

Molecular Properties

Compound NameN'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide
PubChem CID175304090
Molecular FormulaC10H11F9N2O3
Molecular Weight378.19 g/mol
Exact Mass378.06
IUPAC NameN'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide
SMILESNC(=O)CC(=O)NCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F9N2O3/c11-7(12,8(13,14)9(15,16)10(17,18)19)2-4(22)3-21-6(24)1-5(20)23/h4,22H,1-3H2,(H2,20,23)(H,21,24)
InChIKeyDGRMEKPTNVBDDW-UHFFFAOYSA-N
XLogP1.20
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide?
The IUPAC name of N'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide (CID 175304090) is N'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide.
What is the SMILES notation for N'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide?
The canonical SMILES for N'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide is NC(=O)CC(=O)NCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide?
The InChIKey is DGRMEKPTNVBDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F9N2O3/c11-7(12,8(13,14)9(15,16)10(17,18)19)2-4(22)3-21-6(24)1-5(20)23/h4,22H,1-3H2,(H2,20,23)(H,21,24).
What are the key properties of N'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide?
N'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide has a molecular weight of 378.19 g/mol, XLogP of 1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide is sourced from PubChem (CID 175304090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).