[(1S)-1-amino-4,5-difluoro-2,3-dihydroinden-1-yl]methanol

C10H11F2NO — CID 131538668

IUPAC[(1S)-1-amino-4,5-difluoro-2,3-dihydroinden-1-yl]methanol
SMILESN[C@@]1(CO)CCc2c1ccc(F)c2F
InChIInChI=1S/C10H11F2NO/c11-8-2-1-7-6(9(8)12)3-4-10(7,13)5-14/h1-2,14H,3-5,13H2/t10-/m1/s1
InChIKeyKKYXEFGKGYHJRK-SNVBAGLBSA-N
MW199.20 g/mol
LogP1.06
Rot. Bonds1

About [(1S)-1-amino-4,5-difluoro-2,3-dihydroinden-1-yl]methanol

[(1S)-1-amino-4,5-difluoro-2,3-dihydroinden-1-yl]methanol (PubChem CID 131538668) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is [(1S)-1-amino-4,5-difluoro-2,3-dihydroinden-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-1-amino-4,5-difluoro-2,3-dihydroinden-1-yl]methanol
PubChem CID131538668
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name[(1S)-1-amino-4,5-difluoro-2,3-dihydroinden-1-yl]methanol
SMILESN[C@@]1(CO)CCc2c1ccc(F)c2F
InChIInChI=1S/C10H11F2NO/c11-8-2-1-7-6(9(8)12)3-4-10(7,13)5-14/h1-2,14H,3-5,13H2/t10-/m1/s1
InChIKeyKKYXEFGKGYHJRK-SNVBAGLBSA-N
XLogP1.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-amino-4,5-difluoro-2,3-dihydroinden-1-yl]methanol?
The IUPAC name of [(1S)-1-amino-4,5-difluoro-2,3-dihydroinden-1-yl]methanol (CID 131538668) is [(1S)-1-amino-4,5-difluoro-2,3-dihydroinden-1-yl]methanol.
What is the SMILES notation for [(1S)-1-amino-4,5-difluoro-2,3-dihydroinden-1-yl]methanol?
The canonical SMILES for [(1S)-1-amino-4,5-difluoro-2,3-dihydroinden-1-yl]methanol is N[C@@]1(CO)CCc2c1ccc(F)c2F.
What is the InChIKey of [(1S)-1-amino-4,5-difluoro-2,3-dihydroinden-1-yl]methanol?
The InChIKey is KKYXEFGKGYHJRK-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-8-2-1-7-6(9(8)12)3-4-10(7,13)5-14/h1-2,14H,3-5,13H2/t10-/m1/s1.
What are the key properties of [(1S)-1-amino-4,5-difluoro-2,3-dihydroinden-1-yl]methanol?
[(1S)-1-amino-4,5-difluoro-2,3-dihydroinden-1-yl]methanol has a molecular weight of 199.20 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-amino-4,5-difluoro-2,3-dihydroinden-1-yl]methanol is sourced from PubChem (CID 131538668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).