N-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide

C12H22FNO — CID 145277312

IUPACN-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide
SMILESCCCCC(C1CC1)C(CF)NC(C)=O
InChIInChI=1S/C12H22FNO/c1-3-4-5-11(10-6-7-10)12(8-13)14-9(2)15/h10-12H,3-8H2,1-2H3,(H,14,15)
InChIKeyZEPYUWOXOOMIAO-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.68
Rot. Bonds7

About N-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide

N-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide (PubChem CID 145277312) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide
PubChem CID145277312
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC NameN-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide
SMILESCCCCC(C1CC1)C(CF)NC(C)=O
InChIInChI=1S/C12H22FNO/c1-3-4-5-11(10-6-7-10)12(8-13)14-9(2)15/h10-12H,3-8H2,1-2H3,(H,14,15)
InChIKeyZEPYUWOXOOMIAO-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopropanecarboxylic acid (2-isopropyl-5-methyl-cyclohexyl)-amide, (1S,2S,5R)-
CID 58004815
Acetamide, N-(4-hexyl-1-cyclohexyl)-
CID 38108
Acetamide, N-(3-propyl-2-hexyl)-
CID 40203
Cyclopropanecarboxylic acid (2-isopropyl-5-methyl-cyclohexyl)-amide, (1R,2R,5S)-
CID 59847877
Valeramide, N-cyclopropyl-2-propyl-
CID 211204
Propionamide, N-(1-methyl-2-propylpentyl)-
CID 3040306
Cyclopropane carboxylic acid (2-isopropyl-5-methyl cyclohexyl) amide
CID 60756860
Trifluoroacetamide, N-(1-cyclohexylethyl)
CID 529467
N-(1,5-Dimethylhexyl)trifluoroacetamide
CID 11564832
N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide
CID 134967146
N-(4-ethyloctyl)-2,2,2-trifluoroacetamide
CID 162404610
N-(2-propylcycloheptyl)acetamide
CID 3253519

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide?
The IUPAC name of N-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide (CID 145277312) is N-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide.
What is the SMILES notation for N-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide?
The canonical SMILES for N-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide is CCCCC(C1CC1)C(CF)NC(C)=O.
What is the InChIKey of N-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide?
The InChIKey is ZEPYUWOXOOMIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-3-4-5-11(10-6-7-10)12(8-13)14-9(2)15/h10-12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide?
N-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide has a molecular weight of 215.31 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-fluoroheptan-2-yl)acetamide is sourced from PubChem (CID 145277312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).