2-chloro-N-(2,2-difluoroethyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide

C10H14ClF2NO2 — CID 146094583

IUPAC2-chloro-N-(2,2-difluoroethyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide
SMILESO=C(CCl)N(CC(F)F)CC1CCC=CO1
InChIInChI=1S/C10H14ClF2NO2/c11-5-10(15)14(7-9(12)13)6-8-3-1-2-4-16-8/h2,4,8-9H,1,3,5-7H2
InChIKeyMJWORCSMFARNGR-UHFFFAOYSA-N
MW253.68 g/mol
LogP2.01
Rot. Bonds5

About 2-chloro-N-(2,2-difluoroethyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide

2-chloro-N-(2,2-difluoroethyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide (PubChem CID 146094583) has the molecular formula C10H14ClF2NO2 and a molecular weight of 253.68 g/mol. Its IUPAC name is 2-chloro-N-(2,2-difluoroethyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-difluoroethyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide
PubChem CID146094583
Molecular FormulaC10H14ClF2NO2
Molecular Weight253.68 g/mol
Exact Mass253.07
IUPAC Name2-chloro-N-(2,2-difluoroethyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide
SMILESO=C(CCl)N(CC(F)F)CC1CCC=CO1
InChIInChI=1S/C10H14ClF2NO2/c11-5-10(15)14(7-9(12)13)6-8-3-1-2-4-16-8/h2,4,8-9H,1,3,5-7H2
InChIKeyMJWORCSMFARNGR-UHFFFAOYSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 52.01
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 2-chloro-N-(2,2-difluoroethyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(2,2-difluoroethyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide (CID 146094583) is 2-chloro-N-(2,2-difluoroethyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,2-difluoroethyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,2-difluoroethyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide is O=C(CCl)N(CC(F)F)CC1CCC=CO1.
What is the InChIKey of 2-chloro-N-(2,2-difluoroethyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide?
The InChIKey is MJWORCSMFARNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF2NO2/c11-5-10(15)14(7-9(12)13)6-8-3-1-2-4-16-8/h2,4,8-9H,1,3,5-7H2.
What are the key properties of 2-chloro-N-(2,2-difluoroethyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide?
2-chloro-N-(2,2-difluoroethyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide has a molecular weight of 253.68 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-difluoroethyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)acetamide is sourced from PubChem (CID 146094583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).