2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine

C12H14FN — CID 146303850

IUPAC2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
SMILESNc1c2c(cc3c1CC(F)C3)CCC2
InChIInChI=1S/C12H14FN/c13-9-5-8-4-7-2-1-3-10(7)12(14)11(8)6-9/h4,9H,1-3,5-6,14H2
InChIKeyDPDLFCWDTSCVLB-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.19
Rot. Bonds

About 2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine

2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine (PubChem CID 146303850) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine.

Molecular Properties

Compound Name2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
PubChem CID146303850
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
SMILESNc1c2c(cc3c1CC(F)C3)CCC2
InChIInChI=1S/C12H14FN/c13-9-5-8-4-7-2-1-3-10(7)12(14)11(8)6-9/h4,9H,1-3,5-6,14H2
InChIKeyDPDLFCWDTSCVLB-UHFFFAOYSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 145387694
6-cyclopropyl-5-methyl-2,3-dihydro-1H-inden-4-amine
CID 146570694
(2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine
CID 146610837
3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine
CID 131842982
5-cyclopropyl-2,3-dihydro-1H-inden-4-amine
CID 162394390
5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine
CID 142522585
3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine
CID 122480718
5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine
CID 146380579
3-methoxy-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 165370015
5-cyclopropyl-7-fluoro-2,3-dihydro-1H-inden-4-amine
CID 162394388
5-(oxan-4-yl)-2,3-dihydro-1H-inden-4-amine
CID 147187055
CID 89263327
CID 89263327

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The IUPAC name of 2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine (CID 146303850) is 2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine.
What is the SMILES notation for 2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The canonical SMILES for 2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine is Nc1c2c(cc3c1CC(F)C3)CCC2.
What is the InChIKey of 2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The InChIKey is DPDLFCWDTSCVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-9-5-8-4-7-2-1-3-10(7)12(14)11(8)6-9/h4,9H,1-3,5-6,14H2.
What are the key properties of 2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine has a molecular weight of 191.25 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine is sourced from PubChem (CID 146303850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).