(1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine

C10H10F3N — CID 130816434

IUPAC(1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1CCc2ccc(F)c(C(F)F)c21
InChIInChI=1S/C10H10F3N/c11-6-3-1-5-2-4-7(14)8(5)9(6)10(12)13/h1,3,7,10H,2,4,14H2/t7-/m0/s1
InChIKeySNRLHGIJEUIAQX-ZETCQYMHSA-N
MW201.19 g/mol
LogP2.71
Rot. Bonds1

About (1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine

(1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 130816434) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is (1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID130816434
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name(1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1CCc2ccc(F)c(C(F)F)c21
InChIInChI=1S/C10H10F3N/c11-6-3-1-5-2-4-7(14)8(5)9(6)10(12)13/h1,3,7,10H,2,4,14H2/t7-/m0/s1
InChIKeySNRLHGIJEUIAQX-ZETCQYMHSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130713599
(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
7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 58440160
(3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 131071329
(1S)-7-(difluoromethoxy)-2,3-dihydro-1H-inden-1-amine
CID 126992246
(1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130612015
(1R)-6-methyl-2,3-dihydro-1H-indene-1,7-diamine
CID 130682325
(1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 55275436
(3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol
CID 130645514
3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843
6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 114265478

Frequently Asked Questions

What is the IUPAC name of (1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine (CID 130816434) is (1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine is N[C@H]1CCc2ccc(F)c(C(F)F)c21.
What is the InChIKey of (1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SNRLHGIJEUIAQX-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10F3N/c11-6-3-1-5-2-4-7(14)8(5)9(6)10(12)13/h1,3,7,10H,2,4,14H2/t7-/m0/s1.
What are the key properties of (1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine?
(1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 201.19 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-(difluoromethyl)-6-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 130816434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).