(4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine

C10H10F2N2 — CID 105449673

IUPAC(4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine
SMILESCc1[nH]c2c(F)ccc(F)c2c1CN
InChIInChI=1S/C10H10F2N2/c1-5-6(4-13)9-7(11)2-3-8(12)10(9)14-5/h2-3,14H,4,13H2,1H3
InChIKeyBEOUPIBYKJOGJL-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.21
Rot. Bonds1

About (4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine

(4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine (PubChem CID 105449673) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is (4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine
PubChem CID105449673
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name(4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine
SMILESCc1[nH]c2c(F)ccc(F)c2c1CN
InChIInChI=1S/C10H10F2N2/c1-5-6(4-13)9-7(11)2-3-8(12)10(9)14-5/h2-3,14H,4,13H2,1H3
InChIKeyBEOUPIBYKJOGJL-UHFFFAOYSA-N
XLogP2.21
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine?
The IUPAC name of (4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine (CID 105449673) is (4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine.
What is the SMILES notation for (4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine?
The canonical SMILES for (4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine is Cc1[nH]c2c(F)ccc(F)c2c1CN.
What is the InChIKey of (4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine?
The InChIKey is BEOUPIBYKJOGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c1-5-6(4-13)9-7(11)2-3-8(12)10(9)14-5/h2-3,14H,4,13H2,1H3.
What are the key properties of (4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine?
(4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine has a molecular weight of 196.20 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine is sourced from PubChem (CID 105449673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).