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

C10H18ClF2NO — CID 107491403

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)N(CCCl)CC(F)F
InChIInChI=1S/C10H18ClF2NO/c1-3-8(4-2)10(15)14(6-5-11)7-9(12)13/h8-9H,3-7H2,1-2H3
InChIKeyQMDVFYNPYPCBRC-UHFFFAOYSA-N
MW241.71 g/mol
LogP2.76
Rot. Bonds7

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

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethylbutanamide (PubChem CID 107491403) has the molecular formula C10H18ClF2NO and a molecular weight of 241.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethylbutanamide
PubChem CID107491403
Molecular FormulaC10H18ClF2NO
Molecular Weight241.71 g/mol
Exact Mass241.10
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)N(CCCl)CC(F)F
InChIInChI=1S/C10H18ClF2NO/c1-3-8(4-2)10(15)14(6-5-11)7-9(12)13/h8-9H,3-7H2,1-2H3
InChIKeyQMDVFYNPYPCBRC-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.71
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethylbutanamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethylbutanamide (CID 107491403) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethylbutanamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethylbutanamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethylbutanamide is CCC(CC)C(=O)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethylbutanamide?
The InChIKey is QMDVFYNPYPCBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClF2NO/c1-3-8(4-2)10(15)14(6-5-11)7-9(12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethylbutanamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethylbutanamide has a molecular weight of 241.71 g/mol, XLogP of 2.76, 7 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)-2-ethylbutanamide is sourced from PubChem (CID 107491403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).