N-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide

C8H13F2NO — CID 103515345

IUPACN-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide
SMILESCC(C1CC1)N(C)C(=O)C(F)F
InChIInChI=1S/C8H13F2NO/c1-5(6-3-4-6)11(2)8(12)7(9)10/h5-7H,3-4H2,1-2H3
InChIKeyYDXWKBBVQUIEBN-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.51
Rot. Bonds3

About N-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide

N-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide (PubChem CID 103515345) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide
PubChem CID103515345
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC NameN-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide
SMILESCC(C1CC1)N(C)C(=O)C(F)F
InChIInChI=1S/C8H13F2NO/c1-5(6-3-4-6)11(2)8(12)7(9)10/h5-7H,3-4H2,1-2H3
InChIKeyYDXWKBBVQUIEBN-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide (CID 103515345) is N-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide is CC(C1CC1)N(C)C(=O)C(F)F.
What is the InChIKey of N-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide?
The InChIKey is YDXWKBBVQUIEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-5(6-3-4-6)11(2)8(12)7(9)10/h5-7H,3-4H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide?
N-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide has a molecular weight of 177.19 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide is sourced from PubChem (CID 103515345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).