6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane

C12H16F2N2 — CID 171076946

IUPAC6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane
SMILESCC.CNc1c(F)c(F)c2[nH]ccc2c1C
InChIInChI=1S/C10H10F2N2.C2H6/c1-5-6-3-4-14-10(6)8(12)7(11)9(5)13-2;1-2/h3-4,13-14H,1-2H3;1-2H3
InChIKeyVCVHEFDERPFVHF-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.82
Rot. Bonds1

About 6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane

6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane (PubChem CID 171076946) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane.

Molecular Properties

Compound Name6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane
PubChem CID171076946
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane
SMILESCC.CNc1c(F)c(F)c2[nH]ccc2c1C
InChIInChI=1S/C10H10F2N2.C2H6/c1-5-6-3-4-14-10(6)8(12)7(11)9(5)13-2;1-2/h3-4,13-14H,1-2H3;1-2H3
InChIKeyVCVHEFDERPFVHF-UHFFFAOYSA-N
XLogP3.82
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane?
The IUPAC name of 6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane (CID 171076946) is 6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane.
What is the SMILES notation for 6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane?
The canonical SMILES for 6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane is CC.CNc1c(F)c(F)c2[nH]ccc2c1C.
What is the InChIKey of 6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane?
The InChIKey is VCVHEFDERPFVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2.C2H6/c1-5-6-3-4-14-10(6)8(12)7(11)9(5)13-2;1-2/h3-4,13-14H,1-2H3;1-2H3.
What are the key properties of 6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane?
6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane has a molecular weight of 226.27 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane is sourced from PubChem (CID 171076946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).