(1S)-6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine

C14H16BrF2N — CID 129193176

IUPAC(1S)-6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine
SMILESN[C@@H]1c2cc(Br)ccc2CC12CCC(F)(F)CC2
InChIInChI=1S/C14H16BrF2N/c15-10-2-1-9-8-13(12(18)11(9)7-10)3-5-14(16,17)6-4-13/h1-2,7,12H,3-6,8,18H2/t12-/m1/s1
InChIKeyATPNUXPLWNRQKM-GFCCVEGCSA-N
MW316.19 g/mol
LogP4.20
Rot. Bonds

About (1S)-6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine

(1S)-6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine (PubChem CID 129193176) has the molecular formula C14H16BrF2N and a molecular weight of 316.19 g/mol. Its IUPAC name is (1S)-6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine.

Molecular Properties

Compound Name(1S)-6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine
PubChem CID129193176
Molecular FormulaC14H16BrF2N
Molecular Weight316.19 g/mol
Exact Mass315.04
IUPAC Name(1S)-6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine
SMILESN[C@@H]1c2cc(Br)ccc2CC12CCC(F)(F)CC2
InChIInChI=1S/C14H16BrF2N/c15-10-2-1-9-8-13(12(18)11(9)7-10)3-5-14(16,17)6-4-13/h1-2,7,12H,3-6,8,18H2/t12-/m1/s1
InChIKeyATPNUXPLWNRQKM-GFCCVEGCSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine?
The IUPAC name of (1S)-6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine (CID 129193176) is (1S)-6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine.
What is the SMILES notation for (1S)-6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine?
The canonical SMILES for (1S)-6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine is N[C@@H]1c2cc(Br)ccc2CC12CCC(F)(F)CC2.
What is the InChIKey of (1S)-6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine?
The InChIKey is ATPNUXPLWNRQKM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16BrF2N/c15-10-2-1-9-8-13(12(18)11(9)7-10)3-5-14(16,17)6-4-13/h1-2,7,12H,3-6,8,18H2/t12-/m1/s1.
What are the key properties of (1S)-6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine?
(1S)-6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine has a molecular weight of 316.19 g/mol, XLogP of 4.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine is sourced from PubChem (CID 129193176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).