(9R)-1,3-difluoro-9-methyl-9,9a-dihydro-8H-benzo[7]annulen-7-amine

C12H13F2N — CID 147877180

IUPAC(9R)-1,3-difluoro-9-methyl-9,9a-dihydro-8H-benzo[7]annulen-7-amine
SMILESC[C@@H]1CC(N)=CC=C2C=C(F)C=C(F)C21
InChIInChI=1S/C12H13F2N/c1-7-4-10(15)3-2-8-5-9(13)6-11(14)12(7)8/h2-3,5-7,12H,4,15H2,1H3/t7-,12?/m1/s1
InChIKeyHZTCPMOFVKEHDU-OJYJAAIMSA-N
MW209.24 g/mol
LogP3.13
Rot. Bonds

About (9R)-1,3-difluoro-9-methyl-9,9a-dihydro-8H-benzo[7]annulen-7-amine

(9R)-1,3-difluoro-9-methyl-9,9a-dihydro-8H-benzo[7]annulen-7-amine (PubChem CID 147877180) has the molecular formula C12H13F2N and a molecular weight of 209.24 g/mol. Its IUPAC name is (9R)-1,3-difluoro-9-methyl-9,9a-dihydro-8H-benzo[7]annulen-7-amine.

Molecular Properties

Compound Name(9R)-1,3-difluoro-9-methyl-9,9a-dihydro-8H-benzo[7]annulen-7-amine
PubChem CID147877180
Molecular FormulaC12H13F2N
Molecular Weight209.24 g/mol
Exact Mass209.10
IUPAC Name(9R)-1,3-difluoro-9-methyl-9,9a-dihydro-8H-benzo[7]annulen-7-amine
SMILESC[C@@H]1CC(N)=CC=C2C=C(F)C=C(F)C21
InChIInChI=1S/C12H13F2N/c1-7-4-10(15)3-2-8-5-9(13)6-11(14)12(7)8/h2-3,5-7,12H,4,15H2,1H3/t7-,12?/m1/s1
InChIKeyHZTCPMOFVKEHDU-OJYJAAIMSA-N
XLogP3.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (9R)-1,3-difluoro-9-methyl-9,9a-dihydro-8H-benzo[7]annulen-7-amine?
The IUPAC name of (9R)-1,3-difluoro-9-methyl-9,9a-dihydro-8H-benzo[7]annulen-7-amine (CID 147877180) is (9R)-1,3-difluoro-9-methyl-9,9a-dihydro-8H-benzo[7]annulen-7-amine.
What is the SMILES notation for (9R)-1,3-difluoro-9-methyl-9,9a-dihydro-8H-benzo[7]annulen-7-amine?
The canonical SMILES for (9R)-1,3-difluoro-9-methyl-9,9a-dihydro-8H-benzo[7]annulen-7-amine is C[C@@H]1CC(N)=CC=C2C=C(F)C=C(F)C21.
What is the InChIKey of (9R)-1,3-difluoro-9-methyl-9,9a-dihydro-8H-benzo[7]annulen-7-amine?
The InChIKey is HZTCPMOFVKEHDU-OJYJAAIMSA-N. The full InChI is InChI=1S/C12H13F2N/c1-7-4-10(15)3-2-8-5-9(13)6-11(14)12(7)8/h2-3,5-7,12H,4,15H2,1H3/t7-,12?/m1/s1.
What are the key properties of (9R)-1,3-difluoro-9-methyl-9,9a-dihydro-8H-benzo[7]annulen-7-amine?
(9R)-1,3-difluoro-9-methyl-9,9a-dihydro-8H-benzo[7]annulen-7-amine has a molecular weight of 209.24 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-1,3-difluoro-9-methyl-9,9a-dihydro-8H-benzo[7]annulen-7-amine is sourced from PubChem (CID 147877180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).