(5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C12H14F3NO — CID 51600967

IUPAC(5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESN[C@H]1CCCc2cccc(C(F)(F)F)c2[C@H]1O
InChIInChI=1S/C12H14F3NO/c13-12(14,15)8-5-1-3-7-4-2-6-9(16)11(17)10(7)8/h1,3,5,9,11,17H,2,4,6,16H2/t9-,11-/m0/s1
InChIKeyRGCPZIGGAZRYCZ-ONGXEEELSA-N
MW245.24 g/mol
LogP2.40
Rot. Bonds

About (5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

(5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 51600967) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is (5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name(5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID51600967
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name(5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESN[C@H]1CCCc2cccc(C(F)(F)F)c2[C@H]1O
InChIInChI=1S/C12H14F3NO/c13-12(14,15)8-5-1-3-7-4-2-6-9(16)11(17)10(7)8/h1,3,5,9,11,17H,2,4,6,16H2/t9-,11-/m0/s1
InChIKeyRGCPZIGGAZRYCZ-ONGXEEELSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol with MolForge

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Related Compounds

(5R,6R)-6-amino-4-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 51600925
(5S,6R)-6-amino-4-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 51600913
1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 156843578
6-amino-4-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;hydrochloride
CID 71432349
(5R,6R)-6-amino-2,4-difluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 51600981
(8R)-8-amino-5,6,7,8-tetrahydronaphthalen-1-ol
CID 130673743
4-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 126626843
4-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene
CID 174400192
1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine
CID 10374901
(6S)-2-(trifluoromethyl)-1,1a,6,6a-tetrahydrocyclopropa[b]inden-6-ol
CID 175391484
(1R)-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 156594473
2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine
CID 45283482

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of (5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 51600967) is (5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for (5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for (5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is N[C@H]1CCCc2cccc(C(F)(F)F)c2[C@H]1O.
What is the InChIKey of (5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is RGCPZIGGAZRYCZ-ONGXEEELSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)8-5-1-3-7-4-2-6-9(16)11(17)10(7)8/h1,3,5,9,11,17H,2,4,6,16H2/t9-,11-/m0/s1.
What are the key properties of (5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
(5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 245.24 g/mol, XLogP of 2.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 51600967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).