1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile

C10H9FN2 — CID 55292008

IUPAC1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1F)CCC2N
InChIInChI=1S/C10H9FN2/c11-10-6(5-12)1-2-7-8(10)3-4-9(7)13/h1-2,9H,3-4,13H2
InChIKeyWHGSMVJCVBFDCG-UHFFFAOYSA-N
MW176.19 g/mol
LogP1.64
Rot. Bonds

About 1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile

1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 55292008) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID55292008
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1F)CCC2N
InChIInChI=1S/C10H9FN2/c11-10-6(5-12)1-2-7-8(10)3-4-9(7)13/h1-2,9H,3-4,13H2
InChIKeyWHGSMVJCVBFDCG-UHFFFAOYSA-N
XLogP1.64
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile (CID 55292008) is 1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1ccc2c(c1F)CCC2N.
What is the InChIKey of 1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is WHGSMVJCVBFDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c11-10-6(5-12)1-2-7-8(10)3-4-9(7)13/h1-2,9H,3-4,13H2.
What are the key properties of 1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile?
1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 176.19 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 55292008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).