2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine

C12H14F3N — CID 140896380

IUPAC2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine
SMILESNc1cc2c(cc1C(F)(F)F)CCCCC2
InChIInChI=1S/C12H14F3N/c13-12(14,15)10-6-8-4-2-1-3-5-9(8)7-11(10)16/h6-7H,1-5,16H2
InChIKeyZUASIONVLCACIB-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.56
Rot. Bonds

About 2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine

2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine (PubChem CID 140896380) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine
PubChem CID140896380
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine
SMILESNc1cc2c(cc1C(F)(F)F)CCCCC2
InChIInChI=1S/C12H14F3N/c13-12(14,15)10-6-8-4-2-1-3-5-9(8)7-11(10)16/h6-7H,1-5,16H2
InChIKeyZUASIONVLCACIB-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-iodo-5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-amine
CID 153067657
3-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 12835985
6-amino-2-methyl-7-(trifluoromethyl)-3,4-dihydroisoquinolin-1-one
CID 146552574
5-methoxy-2,4-bis(trifluoromethyl)aniline
CID 134640552
2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine
CID 162540560
2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 117296662
4-methyl-2-(trifluoromethyl)aniline
CID 2737710
5-amino-2-fluoro-4-(trifluoromethyl)benzenethiol
CID 130934060
6-propan-2-yl-2,3-dihydro-1H-inden-5-amine
CID 146503682
5,6,7,8-tetrahydroquinoline-2,3-diamine
CID 23122564
4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
CID 161352173
6-chloro-2,3-dihydro-1H-inden-5-amine
CID 22400278

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine?
The IUPAC name of 2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine (CID 140896380) is 2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine.
What is the SMILES notation for 2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine?
The canonical SMILES for 2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine is Nc1cc2c(cc1C(F)(F)F)CCCCC2.
What is the InChIKey of 2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine?
The InChIKey is ZUASIONVLCACIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c13-12(14,15)10-6-8-4-2-1-3-5-9(8)7-11(10)16/h6-7H,1-5,16H2.
What are the key properties of 2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine?
2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine has a molecular weight of 229.24 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine is sourced from PubChem (CID 140896380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).