N-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid

C9H14F3NO3 — CID 138691852

IUPACN-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCCCNC(=O)C1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO.C2HF3O2/c1-2-5-8-7(9)6-3-4-6;3-2(4,5)1(6)7/h6H,2-5H2,1H3,(H,8,9);(H,6,7)
InChIKeyFNVGPFCJXHQDES-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.56
Rot. Bonds3

About N-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid

N-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 138691852) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is N-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid
PubChem CID138691852
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC NameN-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCCCNC(=O)C1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO.C2HF3O2/c1-2-5-8-7(9)6-3-4-6;3-2(4,5)1(6)7/h6H,2-5H2,1H3,(H,8,9);(H,6,7)
InChIKeyFNVGPFCJXHQDES-UHFFFAOYSA-N
XLogP1.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid (CID 138691852) is N-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid is CCCNC(=O)C1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FNVGPFCJXHQDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2HF3O2/c1-2-5-8-7(9)6-3-4-6;3-2(4,5)1(6)7/h6H,2-5H2,1H3,(H,8,9);(H,6,7).
What are the key properties of N-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
N-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 241.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 138691852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).