(2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone

C11H10F3NO2 — CID 141049303

IUPAC(2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone
SMILESCOc1c(F)c(F)cc(C(=O)C2CC2N)c1F
InChIInChI=1S/C11H10F3NO2/c1-17-11-8(13)5(2-6(12)9(11)14)10(16)4-3-7(4)15/h2,4,7H,3,15H2,1H3
InChIKeyUBVXKVXLJAWGBS-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.64
Rot. Bonds3

About (2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone

(2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone (PubChem CID 141049303) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is (2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone
PubChem CID141049303
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name(2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone
SMILESCOc1c(F)c(F)cc(C(=O)C2CC2N)c1F
InChIInChI=1S/C11H10F3NO2/c1-17-11-8(13)5(2-6(12)9(11)14)10(16)4-3-7(4)15/h2,4,7H,3,15H2,1H3
InChIKeyUBVXKVXLJAWGBS-UHFFFAOYSA-N
XLogP1.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4,5-trifluoro-3-methoxybenzoyl chloride
CID 2775281
[(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate
CID 153252588
4-hydroxybut-2-ynyl 2,4,5-trifluoro-3-methoxybenzoate
CID 87347665
2-hydroxyethyl 2,4,5-trifluoro-3-methoxybenzoate;methanesulfonic acid
CID 87347353
N-butyl-2,4,5-trifluoro-3-methoxybenzamide
CID 91730406
CID 102146515
CID 102146515
1-ethyl-2,4,5-trifluoro-3-methoxybenzene
CID 130384475
N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide
CID 91730460
triphenylstannyl 2,4,5-trifluoro-3-methoxybenzoate
CID 71425248
(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 134161884
ethyl 3-ethoxy-2-(2,4,5-trifluoro-3-methoxybenzoyl)pent-2-enoate
CID 175366104
2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide
CID 91730464

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
The IUPAC name of (2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone (CID 141049303) is (2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone is COc1c(F)c(F)cc(C(=O)C2CC2N)c1F.
What is the InChIKey of (2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
The InChIKey is UBVXKVXLJAWGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-17-11-8(13)5(2-6(12)9(11)14)10(16)4-3-7(4)15/h2,4,7H,3,15H2,1H3.
What are the key properties of (2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
(2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone has a molecular weight of 245.20 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 141049303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).