(3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile

C10H8F2N2 — CID 130673520

IUPAC(3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1c(F)cc2c(c1F)[C@@H](N)CC2
InChIInChI=1S/C10H8F2N2/c11-7-3-5-1-2-8(14)9(5)10(12)6(7)4-13/h3,8H,1-2,14H2/t8-/m0/s1
InChIKeyZMNDNRIVWCFPIU-QMMMGPOBSA-N
MW194.18 g/mol
LogP1.78
Rot. Bonds

About (3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile

(3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 130673520) has the molecular formula C10H8F2N2 and a molecular weight of 194.18 g/mol. Its IUPAC name is (3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID130673520
Molecular FormulaC10H8F2N2
Molecular Weight194.18 g/mol
Exact Mass194.07
IUPAC Name(3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1c(F)cc2c(c1F)[C@@H](N)CC2
InChIInChI=1S/C10H8F2N2/c11-7-3-5-1-2-8(14)9(5)10(12)6(7)4-13/h3,8H,1-2,14H2/t8-/m0/s1
InChIKeyZMNDNRIVWCFPIU-QMMMGPOBSA-N
XLogP1.78
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile (CID 130673520) is (3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for (3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1c(F)cc2c(c1F)[C@@H](N)CC2.
What is the InChIKey of (3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is ZMNDNRIVWCFPIU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H8F2N2/c11-7-3-5-1-2-8(14)9(5)10(12)6(7)4-13/h3,8H,1-2,14H2/t8-/m0/s1.
What are the key properties of (3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile?
(3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 194.18 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 130673520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).