N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine

C14H9ClF4N2 — CID 133371686

IUPACN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine
SMILESFc1nc(F)c(F)c(NC2CCc3cc(Cl)ccc32)c1F
InChIInChI=1S/C14H9ClF4N2/c15-7-2-3-8-6(5-7)1-4-9(8)20-12-10(16)13(18)21-14(19)11(12)17/h2-3,5,9H,1,4H2,(H,20,21)
InChIKeyHOOBZXAMWUCCSI-UHFFFAOYSA-N
MW316.69 g/mol
LogP4.39
Rot. Bonds2

About N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine (PubChem CID 133371686) has the molecular formula C14H9ClF4N2 and a molecular weight of 316.69 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine
PubChem CID133371686
Molecular FormulaC14H9ClF4N2
Molecular Weight316.69 g/mol
Exact Mass316.04
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine
SMILESFc1nc(F)c(F)c(NC2CCc3cc(Cl)ccc32)c1F
InChIInChI=1S/C14H9ClF4N2/c15-7-2-3-8-6(5-7)1-4-9(8)20-12-10(16)13(18)21-14(19)11(12)17/h2-3,5,9H,1,4H2,(H,20,21)
InChIKeyHOOBZXAMWUCCSI-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.69
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
CID 133371682
5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83081805
5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107363987
N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
CID 104775719
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042
1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682439
1-(2-chloro-6-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682700
N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83077299
5-chloro-N-cyclopentyl-2,3-dihydro-1H-inden-1-amine
CID 81301651
5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine
CID 81343383
N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride
CID 139930761
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine (CID 133371686) is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine is Fc1nc(F)c(F)c(NC2CCc3cc(Cl)ccc32)c1F.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine?
The InChIKey is HOOBZXAMWUCCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4N2/c15-7-2-3-8-6(5-7)1-4-9(8)20-12-10(16)13(18)21-14(19)11(12)17/h2-3,5,9H,1,4H2,(H,20,21).
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine?
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine has a molecular weight of 316.69 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine is sourced from PubChem (CID 133371686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).