N-(cyclopropylmethyl)propanamide;2,2,2-trifluoroacetic acid

C9H14F3NO3 — CID 21094635

IUPACN-(cyclopropylmethyl)propanamide;2,2,2-trifluoroacetic acid
SMILESCCC(=O)NCC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO.C2HF3O2/c1-2-7(9)8-5-6-3-4-6;3-2(4,5)1(6)7/h6H,2-5H2,1H3,(H,8,9);(H,6,7)
InChIKeyYFQRVYHOLONIBK-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.56
Rot. Bonds3

About N-(cyclopropylmethyl)propanamide;2,2,2-trifluoroacetic acid

N-(cyclopropylmethyl)propanamide;2,2,2-trifluoroacetic acid (PubChem CID 21094635) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is N-(cyclopropylmethyl)propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(cyclopropylmethyl)propanamide;2,2,2-trifluoroacetic acid
PubChem CID21094635
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC NameN-(cyclopropylmethyl)propanamide;2,2,2-trifluoroacetic acid
SMILESCCC(=O)NCC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO.C2HF3O2/c1-2-7(9)8-5-6-3-4-6;3-2(4,5)1(6)7/h6H,2-5H2,1H3,(H,8,9);(H,6,7)
InChIKeyYFQRVYHOLONIBK-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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Related Compounds

2-Methyl-3-(2,2,2-trifluoroacetamido)propanoic acid
CID 13880527
2-(Acetamidomethyl)-3,3-difluoropropanoic acid
CID 54203643
2-Amino-N-cyclopropylmethyl-acetamide trifluoroacetate
CID 67242360
N-(cyclopropylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid
CID 69413355
N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide;2,2,2-trifluoroacetic acid
CID 88408812
(2S)-2-methyl-3-(trifluoroacetamido)propanoic acid
CID 88707297
N-(2,2-difluorobutyl)cyclopropanecarboxamide
CID 88983003
N-propylcyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 138691852
N-(4-aminobutyl)-3-methylbutanamide;bis(2,2,2-trifluoroacetic acid)
CID 146314853
Cyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid
CID 146452991
(2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid
CID 162323394
N-[(2,2-difluorocyclopropyl)methyl]-2-methylpropanamide
CID 164739928

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(cyclopropylmethyl)propanamide;2,2,2-trifluoroacetic acid (CID 21094635) is N-(cyclopropylmethyl)propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(cyclopropylmethyl)propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(cyclopropylmethyl)propanamide;2,2,2-trifluoroacetic acid is CCC(=O)NCC1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is YFQRVYHOLONIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2HF3O2/c1-2-7(9)8-5-6-3-4-6;3-2(4,5)1(6)7/h6H,2-5H2,1H3,(H,8,9);(H,6,7).
What are the key properties of N-(cyclopropylmethyl)propanamide;2,2,2-trifluoroacetic acid?
N-(cyclopropylmethyl)propanamide;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-(cyclopropylmethyl)propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 21094635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).