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

C14H18F3N — CID 14502067

IUPACN-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
SMILESCCNC1CCc2ccc(C(F)(F)F)cc2CC1
InChIInChI=1S/C14H18F3N/c1-2-18-13-7-4-10-3-6-12(14(15,16)17)9-11(10)5-8-13/h3,6,9,13,18H,2,4-5,7-8H2,1H3
InChIKeyZBKHAXDDZPBKDT-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.56
Rot. Bonds2

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

N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine (PubChem CID 14502067) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine.

Molecular Properties

Compound NameN-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
PubChem CID14502067
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
SMILESCCNC1CCc2ccc(C(F)(F)F)cc2CC1
InChIInChI=1S/C14H18F3N/c1-2-18-13-7-4-10-3-6-12(14(15,16)17)9-11(10)5-8-13/h3,6,9,13,18H,2,4-5,7-8H2,1H3
InChIKeyZBKHAXDDZPBKDT-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
The IUPAC name of N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine (CID 14502067) is N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine.
What is the SMILES notation for N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
The canonical SMILES for N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine is CCNC1CCc2ccc(C(F)(F)F)cc2CC1.
What is the InChIKey of N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
The InChIKey is ZBKHAXDDZPBKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-2-18-13-7-4-10-3-6-12(14(15,16)17)9-11(10)5-8-13/h3,6,9,13,18H,2,4-5,7-8H2,1H3.
What are the key properties of N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine has a molecular weight of 257.30 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine is sourced from PubChem (CID 14502067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).