(1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine

C10H11F2NO — CID 126992246

IUPAC(1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1CCc2cccc(OC(F)F)c21
InChIInChI=1S/C10H11F2NO/c11-10(12)14-8-3-1-2-6-4-5-7(13)9(6)8/h1-3,7,10H,4-5,13H2/t7-/m0/s1
InChIKeyJGODPVIPOIPNJL-ZETCQYMHSA-N
MW199.20 g/mol
LogP2.23
Rot. Bonds2

About (1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine

(1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 126992246) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is (1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID126992246
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name(1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1CCc2cccc(OC(F)F)c21
InChIInChI=1S/C10H11F2NO/c11-10(12)14-8-3-1-2-6-4-5-7(13)9(6)8/h1-3,7,10H,4-5,13H2/t7-/m0/s1
InChIKeyJGODPVIPOIPNJL-ZETCQYMHSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 58440160
2-[[(3S)-3-amino-2,3-dihydro-1H-inden-4-yl]oxy]ethanol
CID 130673894
(1R)-7-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine
CID 130681687
3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843
(3-amino-2,3-dihydro-1H-inden-4-yl) N,N-dimethylcarbamate;hydrochloride
CID 45265587
(1R,8R)-1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
CID 66733867
1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
CID 77181867
(1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130816434
3-amino-2,3-dihydro-1H-indene-4-carboxamide
CID 85263754
7-(difluoromethoxy)-2,3-dihydro-1H-indole
CID 16786288
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 19862989

Frequently Asked Questions

What is the IUPAC name of (1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine (CID 126992246) is (1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine is N[C@H]1CCc2cccc(OC(F)F)c21.
What is the InChIKey of (1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JGODPVIPOIPNJL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-10(12)14-8-3-1-2-6-4-5-7(13)9(6)8/h1-3,7,10H,4-5,13H2/t7-/m0/s1.
What are the key properties of (1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine?
(1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 199.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 126992246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).