N-(1-cyclopropylethyl)-2,2-difluoro-N-(2,2,2-trifluoroethyl)acetamide

C9H12F5NO — CID 103514738

IUPACN-(1-cyclopropylethyl)-2,2-difluoro-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C(F)F
InChIInChI=1S/C9H12F5NO/c1-5(6-2-3-6)15(4-9(12,13)14)8(16)7(10)11/h5-7H,2-4H2,1H3
InChIKeyJBYOFYBHOJCAEA-UHFFFAOYSA-N
MW245.19 g/mol
LogP2.44
Rot. Bonds4

About N-(1-cyclopropylethyl)-2,2-difluoro-N-(2,2,2-trifluoroethyl)acetamide

N-(1-cyclopropylethyl)-2,2-difluoro-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103514738) has the molecular formula C9H12F5NO and a molecular weight of 245.19 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,2-difluoro-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,2-difluoro-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103514738
Molecular FormulaC9H12F5NO
Molecular Weight245.19 g/mol
Exact Mass245.08
IUPAC NameN-(1-cyclopropylethyl)-2,2-difluoro-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C(F)F
InChIInChI=1S/C9H12F5NO/c1-5(6-2-3-6)15(4-9(12,13)14)8(16)7(10)11/h5-7H,2-4H2,1H3
InChIKeyJBYOFYBHOJCAEA-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 52.44
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-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2,2-difluoro-N-(2,2,2-trifluoroethyl)acetamide (CID 103514738) is N-(1-cyclopropylethyl)-2,2-difluoro-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,2-difluoro-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2,2-difluoro-N-(2,2,2-trifluoroethyl)acetamide is CC(C1CC1)N(CC(F)(F)F)C(=O)C(F)F.
What is the InChIKey of N-(1-cyclopropylethyl)-2,2-difluoro-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JBYOFYBHOJCAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5NO/c1-5(6-2-3-6)15(4-9(12,13)14)8(16)7(10)11/h5-7H,2-4H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-2,2-difluoro-N-(2,2,2-trifluoroethyl)acetamide?
N-(1-cyclopropylethyl)-2,2-difluoro-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 245.19 g/mol, XLogP of 2.44, 4 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-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103514738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).