7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide

C16H28F6N2O2 — CID 58012539

IUPAC7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide
SMILESCN(CCCCCCO)C(=O)CCCCCCN(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H28F6N2O2/c1-23(11-7-4-5-9-13-25)14(26)10-6-2-3-8-12-24(15(17,18)19)16(20,21)22/h25H,2-13H2,1H3
InChIKeySGVIYKRCLYLFFW-UHFFFAOYSA-N
MW394.40 g/mol
LogP4.29
Rot. Bonds13

About 7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide

7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide (PubChem CID 58012539) has the molecular formula C16H28F6N2O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide.

Molecular Properties

Compound Name7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide
PubChem CID58012539
Molecular FormulaC16H28F6N2O2
Molecular Weight394.40 g/mol
Exact Mass394.21
IUPAC Name7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide
SMILESCN(CCCCCCO)C(=O)CCCCCCN(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H28F6N2O2/c1-23(11-7-4-5-9-13-25)14(26)10-6-2-3-8-12-24(15(17,18)19)16(20,21)22/h25H,2-13H2,1H3
InChIKeySGVIYKRCLYLFFW-UHFFFAOYSA-N
XLogP4.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide?
The IUPAC name of 7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide (CID 58012539) is 7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide.
What is the SMILES notation for 7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide?
The canonical SMILES for 7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide is CN(CCCCCCO)C(=O)CCCCCCN(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide?
The InChIKey is SGVIYKRCLYLFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F6N2O2/c1-23(11-7-4-5-9-13-25)14(26)10-6-2-3-8-12-24(15(17,18)19)16(20,21)22/h25H,2-13H2,1H3.
What are the key properties of 7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide?
7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide has a molecular weight of 394.40 g/mol, XLogP of 4.29, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[bis(trifluoromethyl)amino]-N-(6-hydroxyhexyl)-N-methylheptanamide is sourced from PubChem (CID 58012539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).