(1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine

C10H11F2NO — CID 55272365

IUPAC(1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cc2c(c(F)c1F)CC[C@@H]2N
InChIInChI=1S/C10H11F2NO/c1-14-8-4-6-5(2-3-7(6)13)9(11)10(8)12/h4,7H,2-3,13H2,1H3/t7-/m0/s1
InChIKeyPOWPLIZDYDGUOW-ZETCQYMHSA-N
MW199.20 g/mol
LogP1.92
Rot. Bonds1

About (1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine

(1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 55272365) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is (1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID55272365
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name(1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cc2c(c(F)c1F)CC[C@@H]2N
InChIInChI=1S/C10H11F2NO/c1-14-8-4-6-5(2-3-7(6)13)9(11)10(8)12/h4,7H,2-3,13H2,1H3/t7-/m0/s1
InChIKeyPOWPLIZDYDGUOW-ZETCQYMHSA-N
XLogP1.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 55272365) is (1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine is COc1cc2c(c(F)c1F)CC[C@@H]2N.
What is the InChIKey of (1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is POWPLIZDYDGUOW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-14-8-4-6-5(2-3-7(6)13)9(11)10(8)12/h4,7H,2-3,13H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine?
(1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 199.20 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 55272365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).