N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-(oxolan-2-yl)acetamide

C10H16ClF2NO2 — CID 107491300

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)N(CCCl)CC(F)F
InChIInChI=1S/C10H16ClF2NO2/c11-3-4-14(7-9(12)13)10(15)6-8-2-1-5-16-8/h8-9H,1-7H2
InChIKeyFBDLOGASSGMEBK-UHFFFAOYSA-N
MW255.69 g/mol
LogP1.89
Rot. Bonds6

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-(oxolan-2-yl)acetamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-(oxolan-2-yl)acetamide (PubChem CID 107491300) 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)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-(oxolan-2-yl)acetamide
PubChem CID107491300
Molecular FormulaC10H16ClF2NO2
Molecular Weight255.69 g/mol
Exact Mass255.08
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)N(CCCl)CC(F)F
InChIInChI=1S/C10H16ClF2NO2/c11-3-4-14(7-9(12)13)10(15)6-8-2-1-5-16-8/h8-9H,1-7H2
InChIKeyFBDLOGASSGMEBK-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.69
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(oxolan-2-yl)acetamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-(oxolan-2-yl)acetamide (CID 107491300) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is FBDLOGASSGMEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF2NO2/c11-3-4-14(7-9(12)13)10(15)6-8-2-1-5-16-8/h8-9H,1-7H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-(oxolan-2-yl)acetamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 255.69 g/mol, XLogP of 1.89, 6 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)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 107491300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).