N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)heptanamide

C11H20F3NO2 — CID 103915446

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)heptanamide
SMILESCCCCCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-2-3-4-5-6-10(17)15(7-8-16)9-11(12,13)14/h16H,2-9H2,1H3
InChIKeyBUBRZXURAVJFMH-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.34
Rot. Bonds8

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)heptanamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)heptanamide (PubChem CID 103915446) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)heptanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)heptanamide
PubChem CID103915446
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)heptanamide
SMILESCCCCCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-2-3-4-5-6-10(17)15(7-8-16)9-11(12,13)14/h16H,2-9H2,1H3
InChIKeyBUBRZXURAVJFMH-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)heptanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)heptanamide (CID 103915446) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)heptanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)heptanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)heptanamide is CCCCCCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)heptanamide?
The InChIKey is BUBRZXURAVJFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-2-3-4-5-6-10(17)15(7-8-16)9-11(12,13)14/h16H,2-9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)heptanamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)heptanamide has a molecular weight of 255.28 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)heptanamide is sourced from PubChem (CID 103915446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).