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

C9H9ClFN — CID 130612015

IUPAC(1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1CCc2c(Cl)ccc(F)c21
InChIInChI=1S/C9H9ClFN/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3,8H,1,4,12H2/t8-/m0/s1
InChIKeyQBIMXCIJODJPKG-QMMMGPOBSA-N
MW185.63 g/mol
LogP2.43
Rot. Bonds

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

(1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 130612015) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is (1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID130612015
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name(1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1CCc2c(Cl)ccc(F)c21
InChIInChI=1S/C9H9ClFN/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3,8H,1,4,12H2/t8-/m0/s1
InChIKeyQBIMXCIJODJPKG-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine (CID 130612015) is (1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine is N[C@H]1CCc2c(Cl)ccc(F)c21.
What is the InChIKey of (1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QBIMXCIJODJPKG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9ClFN/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3,8H,1,4,12H2/t8-/m0/s1.
What are the key properties of (1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine?
(1S)-4-chloro-7-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 (1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 130612015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).