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

C11H21F2NO2 — CID 107483203

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)heptanamide
SMILESCCCCCCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H21F2NO2/c1-2-3-4-5-6-11(16)14(7-8-15)9-10(12)13/h10,15H,2-9H2,1H3
InChIKeyNUTGTATVFVRZNW-UHFFFAOYSA-N
MW237.29 g/mol
LogP2.04
Rot. Bonds9

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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)heptanamide (PubChem CID 107483203) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)heptanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)heptanamide
PubChem CID107483203
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)heptanamide
SMILESCCCCCCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H21F2NO2/c1-2-3-4-5-6-11(16)14(7-8-15)9-10(12)13/h10,15H,2-9H2,1H3
InChIKeyNUTGTATVFVRZNW-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 52.04
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-(2,2-difluoroethyl)-N-(2-hydroxyethyl)heptanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)heptanamide (CID 107483203) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)heptanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)heptanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)heptanamide is CCCCCCC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)heptanamide?
The InChIKey is NUTGTATVFVRZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-2-3-4-5-6-11(16)14(7-8-15)9-10(12)13/h10,15H,2-9H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)heptanamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)heptanamide has a molecular weight of 237.29 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)heptanamide is sourced from PubChem (CID 107483203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).