N-(7-amino-1,1,1,2,2-pentafluoro-3-hydroxyheptan-4-yl)-2,2,2-trifluoroacetamide

C9H12F8N2O2 — CID 19419159

IUPACN-(7-amino-1,1,1,2,2-pentafluoro-3-hydroxyheptan-4-yl)-2,2,2-trifluoroacetamide
SMILESNCCCC(NC(=O)C(F)(F)F)C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F8N2O2/c10-7(11,9(15,16)17)5(20)4(2-1-3-18)19-6(21)8(12,13)14/h4-5,20H,1-3,18H2,(H,19,21)
InChIKeyYECFHNFCKARUEN-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.33
Rot. Bonds6

About N-(7-amino-1,1,1,2,2-pentafluoro-3-hydroxyheptan-4-yl)-2,2,2-trifluoroacetamide

N-(7-amino-1,1,1,2,2-pentafluoro-3-hydroxyheptan-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 19419159) has the molecular formula C9H12F8N2O2 and a molecular weight of 332.19 g/mol. Its IUPAC name is N-(7-amino-1,1,1,2,2-pentafluoro-3-hydroxyheptan-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(7-amino-1,1,1,2,2-pentafluoro-3-hydroxyheptan-4-yl)-2,2,2-trifluoroacetamide
PubChem CID19419159
Molecular FormulaC9H12F8N2O2
Molecular Weight332.19 g/mol
Exact Mass332.08
IUPAC NameN-(7-amino-1,1,1,2,2-pentafluoro-3-hydroxyheptan-4-yl)-2,2,2-trifluoroacetamide
SMILESNCCCC(NC(=O)C(F)(F)F)C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F8N2O2/c10-7(11,9(15,16)17)5(20)4(2-1-3-18)19-6(21)8(12,13)14/h4-5,20H,1-3,18H2,(H,19,21)
InChIKeyYECFHNFCKARUEN-UHFFFAOYSA-N
XLogP1.33
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(7-amino-1,1,1,2,2-pentafluoro-3-hydroxyheptan-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(7-amino-1,1,1,2,2-pentafluoro-3-hydroxyheptan-4-yl)-2,2,2-trifluoroacetamide (CID 19419159) is N-(7-amino-1,1,1,2,2-pentafluoro-3-hydroxyheptan-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(7-amino-1,1,1,2,2-pentafluoro-3-hydroxyheptan-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(7-amino-1,1,1,2,2-pentafluoro-3-hydroxyheptan-4-yl)-2,2,2-trifluoroacetamide is NCCCC(NC(=O)C(F)(F)F)C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(7-amino-1,1,1,2,2-pentafluoro-3-hydroxyheptan-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is YECFHNFCKARUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F8N2O2/c10-7(11,9(15,16)17)5(20)4(2-1-3-18)19-6(21)8(12,13)14/h4-5,20H,1-3,18H2,(H,19,21).
What are the key properties of N-(7-amino-1,1,1,2,2-pentafluoro-3-hydroxyheptan-4-yl)-2,2,2-trifluoroacetamide?
N-(7-amino-1,1,1,2,2-pentafluoro-3-hydroxyheptan-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 332.19 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-1,1,1,2,2-pentafluoro-3-hydroxyheptan-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19419159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).