(7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine

C12H11ClFNO — CID 62380868

IUPAC(7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine
SMILESNCc1oc2c(Cl)cc(F)cc2c1C1CC1
InChIInChI=1S/C12H11ClFNO/c13-9-4-7(14)3-8-11(6-1-2-6)10(5-15)16-12(8)9/h3-4,6H,1-2,5,15H2
InChIKeyPDEKCRNRTFGJNQ-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.56
Rot. Bonds2

About (7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine

(7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 62380868) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is (7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID62380868
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name(7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine
SMILESNCc1oc2c(Cl)cc(F)cc2c1C1CC1
InChIInChI=1S/C12H11ClFNO/c13-9-4-7(14)3-8-11(6-1-2-6)10(5-15)16-12(8)9/h3-4,6H,1-2,5,15H2
InChIKeyPDEKCRNRTFGJNQ-UHFFFAOYSA-N
XLogP3.56
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine (CID 62380868) is (7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine is NCc1oc2c(Cl)cc(F)cc2c1C1CC1.
What is the InChIKey of (7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is PDEKCRNRTFGJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c13-9-4-7(14)3-8-11(6-1-2-6)10(5-15)16-12(8)9/h3-4,6H,1-2,5,15H2.
What are the key properties of (7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine?
(7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine has a molecular weight of 239.68 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 62380868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).