N-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide

C9H17F2NO2 — CID 103515693

IUPACN-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide
SMILESCCC(C)N(CCOC)C(=O)C(F)F
InChIInChI=1S/C9H17F2NO2/c1-4-7(2)12(5-6-14-3)9(13)8(10)11/h7-8H,4-6H2,1-3H3
InChIKeyIKYGFIPSBZAYTM-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.52
Rot. Bonds6

About N-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide

N-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide (PubChem CID 103515693) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is N-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide
PubChem CID103515693
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC NameN-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide
SMILESCCC(C)N(CCOC)C(=O)C(F)F
InChIInChI=1S/C9H17F2NO2/c1-4-7(2)12(5-6-14-3)9(13)8(10)11/h7-8H,4-6H2,1-3H3
InChIKeyIKYGFIPSBZAYTM-UHFFFAOYSA-N
XLogP1.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide (CID 103515693) is N-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide is CCC(C)N(CCOC)C(=O)C(F)F.
What is the InChIKey of N-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide?
The InChIKey is IKYGFIPSBZAYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-4-7(2)12(5-6-14-3)9(13)8(10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of N-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide?
N-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide has a molecular weight of 209.24 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 103515693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).