N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide

C10H16ClF2NO2 — CID 107491267

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide
SMILESO=C(C1CCCOC1)N(CCCl)CC(F)F
InChIInChI=1S/C10H16ClF2NO2/c11-3-4-14(6-9(12)13)10(15)8-2-1-5-16-7-8/h8-9H,1-7H2
InChIKeyJRCFBLZGJOZGOZ-UHFFFAOYSA-N
MW255.69 g/mol
LogP1.75
Rot. Bonds5

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide (PubChem CID 107491267) has the molecular formula C10H16ClF2NO2 and a molecular weight of 255.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide
PubChem CID107491267
Molecular FormulaC10H16ClF2NO2
Molecular Weight255.69 g/mol
Exact Mass255.08
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide
SMILESO=C(C1CCCOC1)N(CCCl)CC(F)F
InChIInChI=1S/C10H16ClF2NO2/c11-3-4-14(6-9(12)13)10(15)8-2-1-5-16-7-8/h8-9H,1-7H2
InChIKeyJRCFBLZGJOZGOZ-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.69
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-ethyloxane-3-carboxamide
CID 63395312
N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiolane-3-carboxamide
CID 107491118
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107491018
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide
CID 55151618
N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide
CID 107491582
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 107491458
N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide
CID 63014346
N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide
CID 63014533
N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide
CID 63014350
N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
CID 109388602
N-(2-aminoethyl)-N-cyclopentyloxane-3-carboxamide
CID 63755880
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloroethyl)-N-(2,2-difluoroethyl)acetamide
CID 107491317

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide (CID 107491267) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide is O=C(C1CCCOC1)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide?
The InChIKey is JRCFBLZGJOZGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF2NO2/c11-3-4-14(6-9(12)13)10(15)8-2-1-5-16-7-8/h8-9H,1-7H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide has a molecular weight of 255.69 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxane-3-carboxamide is sourced from PubChem (CID 107491267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).