N-(6-hydroxyhexyl)-7-(3,3,3-trifluoropropoxy)heptanamide

C16H30F3NO3 — CID 88887776

IUPACN-(6-hydroxyhexyl)-7-(3,3,3-trifluoropropoxy)heptanamide
SMILESO=C(CCCCCCOCCC(F)(F)F)NCCCCCCO
InChIInChI=1S/C16H30F3NO3/c17-16(18,19)10-14-23-13-8-4-1-5-9-15(22)20-11-6-2-3-7-12-21/h21H,1-14H2,(H,20,22)
InChIKeyIMDBWPSZFOMJKB-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.57
Rot. Bonds15

About N-(6-hydroxyhexyl)-7-(3,3,3-trifluoropropoxy)heptanamide

N-(6-hydroxyhexyl)-7-(3,3,3-trifluoropropoxy)heptanamide (PubChem CID 88887776) has the molecular formula C16H30F3NO3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-7-(3,3,3-trifluoropropoxy)heptanamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-7-(3,3,3-trifluoropropoxy)heptanamide
PubChem CID88887776
Molecular FormulaC16H30F3NO3
Molecular Weight341.41 g/mol
Exact Mass341.22
IUPAC NameN-(6-hydroxyhexyl)-7-(3,3,3-trifluoropropoxy)heptanamide
SMILESO=C(CCCCCCOCCC(F)(F)F)NCCCCCCO
InChIInChI=1S/C16H30F3NO3/c17-16(18,19)10-14-23-13-8-4-1-5-9-15(22)20-11-6-2-3-7-12-21/h21H,1-14H2,(H,20,22)
InChIKeyIMDBWPSZFOMJKB-UHFFFAOYSA-N
XLogP3.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.57
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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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-7-(3,3,3-trifluoropropoxy)heptanamide?
The IUPAC name of N-(6-hydroxyhexyl)-7-(3,3,3-trifluoropropoxy)heptanamide (CID 88887776) is N-(6-hydroxyhexyl)-7-(3,3,3-trifluoropropoxy)heptanamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-7-(3,3,3-trifluoropropoxy)heptanamide?
The canonical SMILES for N-(6-hydroxyhexyl)-7-(3,3,3-trifluoropropoxy)heptanamide is O=C(CCCCCCOCCC(F)(F)F)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)-7-(3,3,3-trifluoropropoxy)heptanamide?
The InChIKey is IMDBWPSZFOMJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO3/c17-16(18,19)10-14-23-13-8-4-1-5-9-15(22)20-11-6-2-3-7-12-21/h21H,1-14H2,(H,20,22).
What are the key properties of N-(6-hydroxyhexyl)-7-(3,3,3-trifluoropropoxy)heptanamide?
N-(6-hydroxyhexyl)-7-(3,3,3-trifluoropropoxy)heptanamide has a molecular weight of 341.41 g/mol, XLogP of 3.57, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-7-(3,3,3-trifluoropropoxy)heptanamide is sourced from PubChem (CID 88887776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).