(5-amino-3-chloro-2-fluorophenyl)-cyclopropylmethanone

C10H9ClFNO — CID 90303352

IUPAC(5-amino-3-chloro-2-fluorophenyl)-cyclopropylmethanone
SMILESNc1cc(Cl)c(F)c(C(=O)C2CC2)c1
InChIInChI=1S/C10H9ClFNO/c11-8-4-6(13)3-7(9(8)12)10(14)5-1-2-5/h3-5H,1-2,13H2
InChIKeyUSBOEYIYVQSRDG-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.65
Rot. Bonds2

About (5-amino-3-chloro-2-fluorophenyl)-cyclopropylmethanone

(5-amino-3-chloro-2-fluorophenyl)-cyclopropylmethanone (PubChem CID 90303352) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is (5-amino-3-chloro-2-fluorophenyl)-cyclopropylmethanone.

Molecular Properties

Compound Name(5-amino-3-chloro-2-fluorophenyl)-cyclopropylmethanone
PubChem CID90303352
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name(5-amino-3-chloro-2-fluorophenyl)-cyclopropylmethanone
SMILESNc1cc(Cl)c(F)c(C(=O)C2CC2)c1
InChIInChI=1S/C10H9ClFNO/c11-8-4-6(13)3-7(9(8)12)10(14)5-1-2-5/h3-5H,1-2,13H2
InChIKeyUSBOEYIYVQSRDG-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-chloro-2-fluorophenyl)-cyclopropylmethanone?
The IUPAC name of (5-amino-3-chloro-2-fluorophenyl)-cyclopropylmethanone (CID 90303352) is (5-amino-3-chloro-2-fluorophenyl)-cyclopropylmethanone.
What is the SMILES notation for (5-amino-3-chloro-2-fluorophenyl)-cyclopropylmethanone?
The canonical SMILES for (5-amino-3-chloro-2-fluorophenyl)-cyclopropylmethanone is Nc1cc(Cl)c(F)c(C(=O)C2CC2)c1.
What is the InChIKey of (5-amino-3-chloro-2-fluorophenyl)-cyclopropylmethanone?
The InChIKey is USBOEYIYVQSRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c11-8-4-6(13)3-7(9(8)12)10(14)5-1-2-5/h3-5H,1-2,13H2.
What are the key properties of (5-amino-3-chloro-2-fluorophenyl)-cyclopropylmethanone?
(5-amino-3-chloro-2-fluorophenyl)-cyclopropylmethanone has a molecular weight of 213.64 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-chloro-2-fluorophenyl)-cyclopropylmethanone is sourced from PubChem (CID 90303352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).