1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine

C13H11BrFNS — CID 116532011

IUPAC1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine
SMILESNC1(c2cscc2Br)CCc2cc(F)ccc21
InChIInChI=1S/C13H11BrFNS/c14-12-7-17-6-11(12)13(16)4-3-8-5-9(15)1-2-10(8)13/h1-2,5-7H,3-4,16H2
InChIKeyWOERYISODJJPMB-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.80
Rot. Bonds1

About 1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine

1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine (PubChem CID 116532011) has the molecular formula C13H11BrFNS and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine
PubChem CID116532011
Molecular FormulaC13H11BrFNS
Molecular Weight312.21 g/mol
Exact Mass310.98
IUPAC Name1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine
SMILESNC1(c2cscc2Br)CCc2cc(F)ccc21
InChIInChI=1S/C13H11BrFNS/c14-12-7-17-6-11(12)13(16)4-3-8-5-9(15)1-2-10(8)13/h1-2,5-7H,3-4,16H2
InChIKeyWOERYISODJJPMB-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine
CID 116532005
1-(2,4-dimethylphenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531960
1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531885
1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine
CID 55120511
5-fluoro-1-quinolin-5-yl-2,3-dihydroinden-1-amine
CID 116531900
1-(4-chloro-3-methoxyphenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116532012
5-fluoro-1-quinolin-7-yl-2,3-dihydroinden-1-amine
CID 116532073
5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine
CID 116531567
6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
CID 116532256
1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 55120889
1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 116531692
1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine
CID 117432906

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine (CID 116532011) is 1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine is NC1(c2cscc2Br)CCc2cc(F)ccc21.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine?
The InChIKey is WOERYISODJJPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNS/c14-12-7-17-6-11(12)13(16)4-3-8-5-9(15)1-2-10(8)13/h1-2,5-7H,3-4,16H2.
What are the key properties of 1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine?
1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine has a molecular weight of 312.21 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-5-fluoro-2,3-dihydroinden-1-amine is sourced from PubChem (CID 116532011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).