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

C15H18F3NO — CID 14502065

IUPACN-ethyl-N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]formamide
SMILESCCN(C=O)C1CCc2ccc(C(F)(F)F)cc2CC1
InChIInChI=1S/C15H18F3NO/c1-2-19(10-20)14-7-4-11-3-6-13(15(16,17)18)9-12(11)5-8-14/h3,6,9-10,14H,2,4-5,7-8H2,1H3
InChIKeyDJOFUAIEZJMIIV-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.43
Rot. Bonds3

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

N-ethyl-N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]formamide (PubChem CID 14502065) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is N-ethyl-N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]formamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]formamide
PubChem CID14502065
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC NameN-ethyl-N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]formamide
SMILESCCN(C=O)C1CCc2ccc(C(F)(F)F)cc2CC1
InChIInChI=1S/C15H18F3NO/c1-2-19(10-20)14-7-4-11-3-6-13(15(16,17)18)9-12(11)5-8-14/h3,6,9-10,14H,2,4-5,7-8H2,1H3
InChIKeyDJOFUAIEZJMIIV-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]formamide?
The IUPAC name of N-ethyl-N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]formamide (CID 14502065) is N-ethyl-N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]formamide.
What is the SMILES notation for N-ethyl-N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]formamide?
The canonical SMILES for N-ethyl-N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]formamide is CCN(C=O)C1CCc2ccc(C(F)(F)F)cc2CC1.
What is the InChIKey of N-ethyl-N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]formamide?
The InChIKey is DJOFUAIEZJMIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-2-19(10-20)14-7-4-11-3-6-13(15(16,17)18)9-12(11)5-8-14/h3,6,9-10,14H,2,4-5,7-8H2,1H3.
What are the key properties of N-ethyl-N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]formamide?
N-ethyl-N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]formamide has a molecular weight of 285.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]formamide is sourced from PubChem (CID 14502065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).