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

C10H9FN2 — CID 131071329

IUPAC(3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1F)[C@@H](N)CC2
InChIInChI=1S/C10H9FN2/c11-10-7(5-12)2-1-6-3-4-8(13)9(6)10/h1-2,8H,3-4,13H2/t8-/m0/s1
InChIKeyUKWCSIQPPFCWFE-QMMMGPOBSA-N
MW176.19 g/mol
LogP1.64
Rot. Bonds

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

(3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 131071329) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is (3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID131071329
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name(3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1F)[C@@H](N)CC2
InChIInChI=1S/C10H9FN2/c11-10-7(5-12)2-1-6-3-4-8(13)9(6)10/h1-2,8H,3-4,13H2/t8-/m0/s1
InChIKeyUKWCSIQPPFCWFE-QMMMGPOBSA-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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Related Compounds

1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 55292008
(1R,8R)-1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
CID 66733867
(8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 131010416
(3S)-3-amino-4,6-difluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 130673520
(1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130713599
2-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]benzene-1,3-dicarbonitrile
CID 126674389
7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 58440160
(1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile
CID 130691416
(1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130816434
(8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 130631682
(3S)-3,7-diamino-6-methyl-2,3-dihydro-1H-indene-4-carbonitrile
CID 130654199
(1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 59461618

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile (CID 131071329) is (3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for (3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1ccc2c(c1F)[C@@H](N)CC2.
What is the InChIKey of (3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is UKWCSIQPPFCWFE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9FN2/c11-10-7(5-12)2-1-6-3-4-8(13)9(6)10/h1-2,8H,3-4,13H2/t8-/m0/s1.
What are the key properties of (3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile?
(3S)-3-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 (3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 131071329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).