N-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide

C12H22ClF2NO — CID 107490939

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide
SMILESCCCCCCCC(=O)N(CCCl)CC(F)F
InChIInChI=1S/C12H22ClF2NO/c1-2-3-4-5-6-7-12(17)16(9-8-13)10-11(14)15/h11H,2-10H2,1H3
InChIKeyUEBSHZAWBQKFQQ-UHFFFAOYSA-N
MW269.76 g/mol
LogP3.68
Rot. Bonds10

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide (PubChem CID 107490939) has the molecular formula C12H22ClF2NO and a molecular weight of 269.76 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide
PubChem CID107490939
Molecular FormulaC12H22ClF2NO
Molecular Weight269.76 g/mol
Exact Mass269.14
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide
SMILESCCCCCCCC(=O)N(CCCl)CC(F)F
InChIInChI=1S/C12H22ClF2NO/c1-2-3-4-5-6-7-12(17)16(9-8-13)10-11(14)15/h11H,2-10H2,1H3
InChIKeyUEBSHZAWBQKFQQ-UHFFFAOYSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dipropylnonadecanamide
CID 12960009
N,N-dioctyltetradecanamide
CID 169083302
N-butyl-N-octyldecanamide
CID 18913402
N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide
CID 18999305
N-(2-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide
CID 152732092
N-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide
CID 170657119
N,N-bis(2-hydroxypropyl)docosanamide
CID 102118847
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 107478961
N,N-bis[10-[dodecyl(octanoyl)amino]decyl]carbamoyl chloride
CID 176728208
N,N-bis(hydroxymethyl)tetradecanamide
CID 54140383

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide (CID 107490939) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide is CCCCCCCC(=O)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide?
The InChIKey is UEBSHZAWBQKFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClF2NO/c1-2-3-4-5-6-7-12(17)16(9-8-13)10-11(14)15/h11H,2-10H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide has a molecular weight of 269.76 g/mol, XLogP of 3.68, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)octanamide is sourced from PubChem (CID 107490939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).