2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide

C12H12F3NO — CID 110443182

IUPAC2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESO=C(NCC1(c2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10(17)16-8-11(6-7-11)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,17)
InChIKeyIAFYRNOUEKHTQA-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.40
Rot. Bonds3

About 2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide

2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide (PubChem CID 110443182) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide
PubChem CID110443182
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESO=C(NCC1(c2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10(17)16-8-11(6-7-11)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,17)
InChIKeyIAFYRNOUEKHTQA-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-2-methyl-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480032
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
2-amino-2-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119699195
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213951
N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56813205
N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]-2-phenylacetamide
CID 42145846
2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide
CID 42938996
ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate
CID 110471120
N-[(1-phenylcyclopropyl)methyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87003007

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide (CID 110443182) is 2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide is O=C(NCC1(c2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide?
The InChIKey is IAFYRNOUEKHTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-12(14,15)10(17)16-8-11(6-7-11)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide?
2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide has a molecular weight of 243.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 110443182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).