(1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine

C9H9ClFN — CID 55275436

IUPAC(1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1CCc2c(F)ccc(Cl)c21
InChIInChI=1S/C9H9ClFN/c10-6-2-3-7(11)5-1-4-8(12)9(5)6/h2-3,8H,1,4,12H2/t8-/m1/s1
InChIKeyOOJOKHLANUXTDY-MRVPVSSYSA-N
MW185.63 g/mol
LogP2.43
Rot. Bonds

About (1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine

(1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 55275436) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is (1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID55275436
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name(1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1CCc2c(F)ccc(Cl)c21
InChIInChI=1S/C9H9ClFN/c10-6-2-3-7(11)5-1-4-8(12)9(5)6/h2-3,8H,1,4,12H2/t8-/m1/s1
InChIKeyOOJOKHLANUXTDY-MRVPVSSYSA-N
XLogP2.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130612015
(5R)-6-chloro-9-fluoro-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 103052092
(5S)-6-chloro-9-fluoro-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 103052090
(1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol
CID 55278137
(3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol
CID 130645514
(1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 131145871
(1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine
CID 131076803
(4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252255
tert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
CID 125458865
1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene
CID 70907249
(1R)-1-amino-5,7-difluoro-2,3-dihydro-1H-inden-4-ol
CID 55274996
(1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine
CID 130871328

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 55275436) is (1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine is N[C@@H]1CCc2c(F)ccc(Cl)c21.
What is the InChIKey of (1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OOJOKHLANUXTDY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9ClFN/c10-6-2-3-7(11)5-1-4-8(12)9(5)6/h2-3,8H,1,4,12H2/t8-/m1/s1.
What are the key properties of (1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine?
(1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 185.63 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 55275436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).