N-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide

C14H26F3NO3 — CID 58012537

IUPACN-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide
SMILESO=C(CCCCCCOC(F)(F)F)NCCCCCCO
InChIInChI=1S/C14H26F3NO3/c15-14(16,17)21-12-8-4-1-5-9-13(20)18-10-6-2-3-7-11-19/h19H,1-12H2,(H,18,20)
InChIKeyMYBIGRNMHMZWJB-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.14
Rot. Bonds13

About N-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide

N-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide (PubChem CID 58012537) has the molecular formula C14H26F3NO3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide
PubChem CID58012537
Molecular FormulaC14H26F3NO3
Molecular Weight313.36 g/mol
Exact Mass313.19
IUPAC NameN-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide
SMILESO=C(CCCCCCOC(F)(F)F)NCCCCCCO
InChIInChI=1S/C14H26F3NO3/c15-14(16,17)21-12-8-4-1-5-9-13(20)18-10-6-2-3-7-11-19/h19H,1-12H2,(H,18,20)
InChIKeyMYBIGRNMHMZWJB-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(6-hydroxyhexyl)hexanamide
CID 82681825
Heptanamide, tridecafluoro-N-(4-hydroxybutyl)-
CID 543811
N-(6-Aminohexyl)-6-hydroxyhexanamide
CID 3024494
8-(2,2,2-Trifluoroacetamido)octanoic acid
CID 13880528
10-(2,2,2-Trifluoroacetamido)decanoic acid
CID 21043572
Ethyl 7-[(2,2,2-trifluoroacetyl)amino]heptanoate
CID 21503942
12-(2,2,2-Trifluoroacetamido)dodecanoic acid
CID 21972557
2,2,2-trifluoro-N-(10-hydroxydecyl)acetamide
CID 53413893
N-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide
CID 58012542
11-(Trifluoroacetamido)undecanoic acid
CID 84366441
2,2,2-trifluoro-N-(8-hydroxyoctyl)acetamide
CID 86289671
N-(2-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide
CID 87163818

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide?
The IUPAC name of N-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide (CID 58012537) is N-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide?
The canonical SMILES for N-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide is O=C(CCCCCCOC(F)(F)F)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide?
The InChIKey is MYBIGRNMHMZWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO3/c15-14(16,17)21-12-8-4-1-5-9-13(20)18-10-6-2-3-7-11-19/h19H,1-12H2,(H,18,20).
What are the key properties of N-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide?
N-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide has a molecular weight of 313.36 g/mol, XLogP of 3.14, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-7-(trifluoromethoxy)heptanamide is sourced from PubChem (CID 58012537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).